Ligand source activities (1 row/activity)





Ligands Receptor Assay information Chemical information
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name
GPCRdb ID #Vendors Reference
ligand
Fold selectivity
(Potency)
# tested GPCRs
(Potency)
Species p-value
(-log)
Type Activity
Relation
Activity
Value
Assay Type Assay Description Source Mol
weight
Rot
Bonds
H don H acc LogP Smiles DOI
10327 3403 60 None - 1 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1021/acs.jmedchem.1c01220
5284330 3403 60 None - 1 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1021/acs.jmedchem.1c01220
CHEMBL1221983 3403 60 None - 1 Mouse 7.8 pEC50 = 7.8 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1021/acs.jmedchem.1c01220
164612791 184161 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1411 47 2 19 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4850805 184161 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1411 47 2 19 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164609689 184469 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1279 38 2 16 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4855383 184469 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1279 38 2 16 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164610344 184638 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1587 59 2 23 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4857875 184638 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1587 59 2 23 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164617125 184752 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1543 56 2 22 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4859799 184752 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1543 56 2 22 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164620070 185096 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1499 53 2 21 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4865069 185096 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1499 53 2 21 13.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCOCCOCCn4cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164627959 185819 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1191 32 2 14 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4875874 185819 0 None - 1 Mouse 6.7 pEC50 = 6.7 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1191 32 2 14 13.6 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCCCCC[C@@H](C)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164624904 185017 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1163 29 3 14 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4863797 185017 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1163 29 3 14 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164624752 185557 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1251 35 3 16 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4872118 185557 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1251 35 3 16 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCOCCOCCCCCC[C@](C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164626857 185939 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1119 26 3 13 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCn4cc(COCCCCCCC(C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4877645 185939 0 None - 1 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 1119 26 3 13 12.7 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCn4cc(COCCCCCCC(C)(O)C5CC[C@H]6[C@@H]7CC=C8C[C@@H](O)CC[C@]8(C)[C@H]7CC[C@]56C)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164609131 183862 0 None - 1 Mouse 6.1 pEC50 = 6.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 519 7 1 5 6.8 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OC)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4846477 183862 0 None - 1 Mouse 6.1 pEC50 = 6.1 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 519 7 1 5 6.8 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OC)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
164624113 185158 0 None - 1 Mouse 6.0 pEC50 = 6.0 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 806 23 2 13 6.0 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCO)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
CHEMBL4866116 185158 0 None - 1 Mouse 6.0 pEC50 = 6.0 Functional
Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assayAgonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
ChEMBL 806 23 2 13 6.0 CN[C@H]1CC[C@H](N(Cc2cccc(-c3ccnc(OCCOCCOCCOCCn4cc(COCCO)nn4)c3)c2)C(=O)c2sc3ccccc3c2Cl)CC1 10.1021/acs.jmedchem.1c01220
58006515 81070 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160072 81070 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
23725173 81072 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160074 81072 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
24788599 81075 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160077 81075 0 None - 1 Mouse 10.0 pIC50 = 10 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
24789011 81066 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160068 81066 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
24788668 81076 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 5 2 4 5.1 Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160078 81076 0 None - 1 Mouse 9.7 pIC50 = 9.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 5 2 4 5.1 Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
24788948 81068 0 None - 1 Mouse 9.5 pIC50 = 9.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160070 81068 0 None - 1 Mouse 9.5 pIC50 = 9.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
24788207 81069 0 None - 1 Mouse 9.4 pIC50 = 9.4 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160071 81069 0 None - 1 Mouse 9.4 pIC50 = 9.4 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
49840814 81065 0 None 1 2 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 81065 0 None 1 2 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
24788725 81074 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160076 81074 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
24788727 81077 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 413 6 2 4 5.3 COc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
CHEMBL2160079 81077 0 None - 1 Mouse 9.2 pIC50 = 9.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 413 6 2 4 5.3 COc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
145993194 166474 0 None - 1 Mouse 9.0 pIC50 = 9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 586 6 0 7 6.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4288592 166474 0 None - 1 Mouse 9.0 pIC50 = 9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 586 6 0 7 6.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
25226761 14905 0 None -1 2 Human 9.0 pIC50 = 9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209455 14905 0 None -1 2 Human 9.0 pIC50 = 9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
24776445 3934 111 None -1 2 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
4227 3934 111 None -1 2 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
6975 3934 111 None -1 2 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
CHEMBL473417 3934 111 None -1 2 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
DB08828 3934 111 None -1 2 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
23725173 81072 0 None - 1 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160074 81072 0 None - 1 Mouse 8.8 pIC50 = 8.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 5 2 5 6.9 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CCO1 10.1016/j.bmcl.2012.09.013
136210491 167095 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 524 8 4 6 5.4 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL4159710 167095 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 524 8 4 6 5.4 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL4301768 167095 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 524 8 4 6 5.4 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
76318208 105312 1 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 490 5 2 4 5.5 Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)c1C 10.1016/j.bmcl.2014.01.006
CHEMBL3126705 105312 1 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 490 5 2 4 5.5 Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)c1C 10.1016/j.bmcl.2014.01.006
56683156 64059 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 64059 0 None - 1 Human 7.0 pIC50 = 7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
57326206 74427 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 5.9 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031245 74427 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 5.9 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
123507448 166736 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 426 4 0 6 3.8 CN(C(=O)c1ccccc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4293519 166736 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 426 4 0 6 3.8 CN(C(=O)c1ccccc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
145989297 166528 0 None - 1 Mouse 5.0 pIC50 = 5.0 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 456 6 0 5 6.1 COc1cc(OC)c2c(=O)c(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4289632 166528 0 None - 1 Mouse 5.0 pIC50 = 5.0 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 456 6 0 5 6.1 COc1cc(OC)c2c(=O)c(-c3cccc(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
2270563 50945 11 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1580265 50945 11 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
145959437 161585 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4161601 161585 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
49840814 81065 0 None 1 2 Mouse 8.0 pIC50 = 8.0 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 81065 0 None 1 2 Mouse 8.0 pIC50 = 8.0 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
70694242 74439 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 488 7 4 6 4.4 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031281 74439 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 488 7 4 6 4.4 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
136210512 74449 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3cccc(-c4ccccc4)c3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031291 74449 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3cccc(-c4ccccc4)c3)c2)cc(OC)c1OC 10.1021/jm2013369
145959437 161585 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4161601 161585 0 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 452 8 2 7 4.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56659676 63790 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808282 63790 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56659617 63843 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808460 63843 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326385 74430 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 468 6 2 8 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031256 74430 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 468 6 2 8 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
24788725 81074 0 None - 1 Mouse 7.9 pIC50 = 7.9 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160076 81074 0 None - 1 Mouse 7.9 pIC50 = 7.9 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 479 5 2 4 7.7 Clc1ccc(Nc2nccc3cc(N4CCCCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
49862176 14824 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209074 14824 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
25226764 14890 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cnccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209381 14890 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cnccc12 10.1016/j.bmcl.2010.06.006
56669675 64066 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813102 64066 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56666261 64067 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813103 64067 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56673643 63699 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807227 63699 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56669951 63840 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808457 63840 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
16011265 53132 6 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL1600636 53132 6 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
46040695 162463 5 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 451 6 1 3 5.5 O=C(Nc1cccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c1)OCc1ccccc1 10.1016/j.ejmech.2018.05.035
CHEMBL4175623 162463 5 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 451 6 1 3 5.5 O=C(Nc1cccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c1)OCc1ccccc1 10.1016/j.ejmech.2018.05.035
56673644 63702 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
CHEMBL1807230 63702 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
16011265 53132 6 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL1600636 53132 6 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 438 7 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC(C)C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145972105 164063 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 417 4 2 4 4.9 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2C#N)ccn1 10.1016/j.ejmech.2018.02.034
CHEMBL4215992 164063 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 417 4 2 4 4.9 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2C#N)ccn1 10.1016/j.ejmech.2018.02.034
3537781 64847 3 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 350 4 2 2 4.8 O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
CHEMBL1824904 64847 3 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 350 4 2 2 4.8 O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
56964691 74437 8 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031277 74437 8 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL1808447 63830 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 480 4 1 3 4.8 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@H](c4ccccc4)C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326482 74434 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 575 8 3 6 6.4 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031267 74434 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 575 8 3 6 6.4 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56672054 64848 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 351 5 2 2 4.9 O=C(Nc1ccc(CC(O)c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824905 64848 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 351 5 2 2 4.9 O=C(Nc1ccc(CC(O)c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
136210518 74446 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 556 8 4 6 5.9 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031288 74446 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 556 8 4 6 5.9 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56683156 64059 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 64059 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
56669674 64065 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813101 64065 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56676827 63789 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808281 63789 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676768 63837 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808454 63837 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
10392802 183280 32 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 550 8 1 7 3.3 COc1cccc(CN(C(=O)CC(C)(C)C)[C@H]2C[C@@H](C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1 10.1021/jm2013369
CHEMBL480889 183280 32 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 550 8 1 7 3.3 COc1cccc(CN(C(=O)CC(C)(C)C)[C@H]2C[C@@H](C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1 10.1021/jm2013369
56679829 64064 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813100 64064 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
56673182 64077 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813112 64077 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
145988027 166602 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 0 7 3.8 CN(C)c1ccc(C(=O)N(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1 10.1039/C7MD00104E
CHEMBL4290843 166602 0 None - 1 Mouse 5.9 pIC50 = 5.9 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 0 7 3.8 CN(C)c1ccc(C(=O)N(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1 10.1039/C7MD00104E
136210511 74448 20 None - 1 Human 7.8 pIC50 = 7.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031290 74448 20 None - 1 Human 7.8 pIC50 = 7.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56659616 63841 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808458 63841 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56683492 63785 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808277 63785 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
24788892 81073 0 None - 1 Mouse 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160075 81073 0 None - 1 Mouse 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
145992823 166268 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 444 4 0 6 3.9 CN(C(=O)c1ccc(F)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4284830 166268 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 444 4 0 6 3.9 CN(C(=O)c1ccc(F)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
25224531 14889 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cccnc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209380 14889 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cccnc12 10.1016/j.bmcl.2010.06.006
53363477 63703 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807231 63703 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
44464620 74436 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031273 74436 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
44464620 74436 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL2031273 74436 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
44464620 74436 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031273 74436 1 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210508 74452 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031295 74452 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
56670006 63793 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
CHEMBL1808285 63793 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
145981671 165985 0 None - 1 Mouse 4.8 pIC50 = 4.8 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 443 7 0 7 4.9 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C#N)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4279361 165985 0 None - 1 Mouse 4.8 pIC50 = 4.8 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 443 7 0 7 4.9 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C#N)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
145951647 162347 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4173721 162347 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
46890991 6958 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
CHEMBL1084836 6958 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
44517800 64852 0 None 1 2 Mouse 7.8 pIC50 = 7.8 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824909 64852 0 None 1 2 Mouse 7.8 pIC50 = 7.8 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
53361076 64079 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813114 64079 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
145951647 162347 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4173721 162347 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 8 2 7 4.0 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145993720 166808 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 532 7 0 7 5.4 CN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4294637 166808 0 None - 1 Mouse 5.8 pIC50 = 5.8 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 532 7 0 7 5.4 CN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56662793 64073 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813109 64073 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56673642 63697 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807225 63697 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56663080 63842 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808459 63842 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326301 74428 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 461 6 3 5 5.0 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031253 74428 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 461 6 3 5 5.0 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
57326484 74418 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 479 7 3 6 4.4 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031079 74418 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 479 7 3 6 4.4 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
24788892 81073 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160075 81073 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 396 4 2 3 6.7 Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
6407374 6445 10 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
CHEMBL1082791 6445 10 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.06.006
49862220 14831 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209132 14831 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
44464376 74431 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031258 74431 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210509 74451 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 7 4 6 4.1 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031294 74451 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 7 4 6 4.1 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
56676825 63786 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808278 63786 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
71451512 81071 0 None - 1 Mouse 8.7 pIC50 = 8.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
CHEMBL2160073 81071 0 None - 1 Mouse 8.7 pIC50 = 8.7 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
46871827 6957 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084835 6957 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
10333 3686 70 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
49848070 3686 70 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
CHEMBL2142592 3686 70 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
DB12550 3686 70 None 12 2 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1039/C7MD00104E
71458712 81115 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
CHEMBL2160208 81115 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
24788599 81075 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
CHEMBL2160077 81075 0 None - 1 Mouse 8.6 pIC50 = 8.6 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 481 5 2 5 6.5 Clc1ccc(Nc2nccc3cc(N4CCOCC4)ccc23)cc1-c1ncc(-c2ccccc2)[nH]1 10.1016/j.bmcl.2012.09.013
46891248 6925 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084734 6925 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
25255940 6928 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084738 6928 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
164609096 183861 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1063 26 3 13 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4846473 183861 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1063 26 3 13 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164613250 183999 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1240 38 3 17 10.6 CC(O)(CCCCCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4848651 183999 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1240 38 3 17 10.6 CC(O)(CCCCCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164614211 184666 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1152 32 3 15 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4858367 184666 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1152 32 3 15 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164615336 184846 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1196 35 3 16 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4861427 184846 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1196 35 3 16 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164613669 184865 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1328 44 3 19 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4861638 184865 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1328 44 3 19 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164613692 184877 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1107 29 3 14 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4861774 184877 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1107 29 3 14 10.6 CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164621133 185440 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1504 56 3 23 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4870539 185440 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1504 56 3 23 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
164625339 185643 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1416 50 3 21 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
CHEMBL4873360 185643 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 1416 50 3 21 10.7 CC(O)(CCCCCCOCCOCCOCCOCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 10.1021/acs.jmedchem.1c01220
56676957 63693 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807221 63693 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56670007 63794 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808286 63794 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
145979397 165977 0 None - 1 Mouse 5.7 pIC50 = 5.7 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 441 4 1 7 3.4 CN(C(=O)c1ccc(N)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4279209 165977 0 None - 1 Mouse 5.7 pIC50 = 5.7 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 441 4 1 7 3.4 CN(C(=O)c1ccc(N)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
49862221 14832 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 493 4 0 6 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N3CCOCC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209133 14832 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 493 4 0 6 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N3CCOCC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
56659805 63692 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807220 63692 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56683603 63698 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807226 63698 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56673457 63836 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808453 63836 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
136210505 74442 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 533 8 4 8 3.6 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031284 74442 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 533 8 4 8 3.6 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56663078 63832 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
CHEMBL1808449 63832 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
56676511 64078 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813113 64078 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
145982482 165848 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 471 5 0 8 3.7 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4276902 165848 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 471 5 0 8 3.7 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
145955974 162036 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
CHEMBL4168846 162036 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
145955974 162036 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
CHEMBL4168846 162036 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2018.05.035
56666698 63701 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807229 63701 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
46053738 161740 4 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 456 5 2 5 4.4 O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F 10.1016/j.ejmech.2018.05.035
CHEMBL4164165 161740 4 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 456 5 2 5 4.4 O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F 10.1016/j.ejmech.2018.05.035
56683433 63844 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 415 3 1 4 2.6 N#Cc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808461 63844 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 415 3 1 4 2.6 N#Cc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56680083 63845 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808462 63845 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
49862311 14857 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccncc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209248 14857 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccncc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
56680081 63829 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 502 4 1 3 5.7 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(c3cccc(-c4ccccc4)c3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808444 63829 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 502 4 1 3 5.7 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(c3cccc(-c4ccccc4)c3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
87057449 166554 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4290044 166554 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc(C(F)(F)F)cc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
53484000 64859 0 None -3 2 Mouse 7.6 pIC50 = 7.6 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824916 64859 0 None -3 2 Mouse 7.6 pIC50 = 7.6 Functional
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometerAntagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
145981333 166149 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 506 5 1 8 3.0 CN(C(=O)c1ccc(S(=O)(=O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4282560 166149 0 None - 1 Mouse 5.6 pIC50 = 5.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 506 5 1 8 3.0 CN(C(=O)c1ccc(S(=O)(=O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
145980388 166097 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 518 6 0 7 5.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4281406 166097 0 None - 1 Mouse 6.6 pIC50 = 6.6 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 518 6 0 7 5.6 CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56668558 64851 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824908 64851 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 390 4 1 3 6.4 O=C(Nc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56668559 64860 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824917 64860 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
16731271 190357 0 None 4 2 Mouse 7.6 pIC50 = 7.6 Functional
Inhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 190357 0 None 4 2 Mouse 7.6 pIC50 = 7.6 Functional
Inhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
56676510 64061 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813097 64061 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56659677 63791 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808283 63791 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56675440 64861 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cncc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824918 64861 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cncc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56683158 64069 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813105 64069 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56663265 63694 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807222 63694 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
87057363 166310 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4285647 166310 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
145981584 166172 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 454 5 0 7 3.6 CN(C(=O)c1ccc(C=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4282987 166172 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 454 5 0 7 3.6 CN(C(=O)c1ccc(C=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
57326387 74433 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 573 8 3 6 6.2 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031263 74433 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 573 8 3 6 6.2 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210502 74440 3 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031282 74440 3 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
145987822 166606 0 None - 1 Mouse 6.5 pIC50 = 6.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 494 9 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4290935 166606 0 None - 1 Mouse 6.5 pIC50 = 6.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 494 9 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
136210502 74440 3 None - 1 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031282 74440 3 None - 1 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 448 7 4 6 3.7 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
71451511 81067 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160069 81067 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
9911630 189206 53 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 2 5 5.2 COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(N(C)C)ccc4[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
CHEMBL516246 189206 53 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 2 5 5.2 COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(N(C)C)ccc4[nH]3)c2)c1 10.1016/j.bmcl.2012.09.013
58006515 81070 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160072 81070 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
49862269 14844 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 466 4 0 6 4.6 CC(=O)Oc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.06.006
CHEMBL1209189 14844 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 466 4 0 6 4.6 CC(=O)Oc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.06.006
145980269 165932 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 510 4 0 4 6.1 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4278388 165932 0 None - 1 Mouse 8.5 pIC50 = 8.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 510 4 0 4 6.1 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2ccc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
76311001 105310 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 579 5 3 4 7.0 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
CHEMBL3126692 105310 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 579 5 3 4 7.0 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)Nc3ccc(C(F)(F)F)cc3Cl)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
10328 1259 58 None 3 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
442972 1259 58 None 3 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
CHEMBL254129 1259 58 None 3 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
16731271 190357 0 None -4 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 190357 0 None -4 2 Human 6.5 pIC50 = 6.5 Functional
Inhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
164621785 185209 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 695 22 1 10 5.5 [N-]=[N+]=NCCOCCOCCOCCOCCOCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 10.1021/acs.jmedchem.1c01220
CHEMBL4866798 185209 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 695 22 1 10 5.5 [N-]=[N+]=NCCOCCOCCOCCOCCOCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 10.1021/acs.jmedchem.1c01220
53066218 162251 3 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 471 5 0 6 2.6 CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(c3ccccc3)CC2)n1 10.1016/j.ejmech.2018.05.035
CHEMBL4172388 162251 3 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 471 5 0 6 2.6 CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(c3ccccc3)CC2)n1 10.1016/j.ejmech.2018.05.035
56663266 63705 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807233 63705 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
145988186 166513 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 1 7 2.9 CN(C(=O)c1ccc(C(N)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4289354 166513 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 469 5 1 7 2.9 CN(C(=O)c1ccc(C(N)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
71451512 81071 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
CHEMBL2160073 81071 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 529 5 2 6 5.9 O=S1(=O)CCN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)CC1 10.1016/j.bmcl.2012.09.013
44517800 64852 0 None -1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824909 64852 0 None -1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 442 4 1 3 6.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56659615 63831 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808448 63831 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
145987515 166535 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 505 5 1 8 2.4 CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4289775 166535 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 505 5 1 8 2.4 CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56675441 64862 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824919 64862 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
24776445 3934 111 None 1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
4227 3934 111 None 1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
6975 3934 111 None 1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
CHEMBL473417 3934 111 None 1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
DB08828 3934 111 None 1 2 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
136210510 74445 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 542 8 4 6 5.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031287 74445 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 542 8 4 6 5.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56673458 63838 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808455 63838 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676826 63787 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808279 63787 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
87057452 166721 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccc(C(F)(F)F)cc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4293248 166721 0 None - 1 Mouse 5.5 pIC50 = 5.5 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 486 7 0 6 6.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccc(C(F)(F)F)cc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
71451511 81067 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160069 81067 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2cnc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
87057365 166615 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 464 10 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OC/C=C(\C)CCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4291101 166615 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 464 10 0 6 6.6 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OC/C=C(\C)CCC=C(C)C)c3)coc2c1 10.1016/j.ejmech.2018.07.017
145973007 163995 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 422 5 2 4 5.0 COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc23)cnc1-c1ccnc(C)c1 10.1016/j.ejmech.2018.02.034
CHEMBL4215124 163995 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 422 5 2 4 5.0 COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc23)cnc1-c1ccnc(C)c1 10.1016/j.ejmech.2018.02.034
56665113 64863 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2nccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824920 64863 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2nccc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56663079 63833 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808450 63833 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
136210503 74450 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031292 74450 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 482 7 4 6 4.4 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
87057364 166364 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4286606 166364 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccccc4)c3)coc2c1 10.1016/j.ejmech.2018.07.017
49862270 14845 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 465 5 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CC(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209190 14845 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 465 5 1 5 3.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CC(N)=O)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
44549004 64853 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824910 64853 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
76311004 105313 1 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 478 5 3 5 4.6 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(O)c3)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
CHEMBL3126707 105313 1 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assayAntagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
ChEMBL 478 5 3 5 4.6 CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(O)c3)c2)c(Cl)c1 10.1016/j.bmcl.2014.01.006
24776445 3934 111 None -1 2 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
4227 3934 111 None -1 2 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
6975 3934 111 None -1 2 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
CHEMBL473417 3934 111 None -1 2 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
DB08828 3934 111 None -1 2 Mouse 6.4 pIC50 = 6.4 Functional
Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.1c01220
10333 3686 70 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
49848070 3686 70 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
CHEMBL2142592 3686 70 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
DB12550 3686 70 None -12 2 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.ejmech.2021.113268
56683157 64068 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813104 64068 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56964692 74435 11 None - 1 Human 7.4 pIC50 = 7.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031268 74435 11 None - 1 Human 7.4 pIC50 = 7.4 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
20885873 162223 6 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4171870 162223 6 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56676509 64060 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813096 64060 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
20885873 162223 6 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4171870 162223 6 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 436 7 2 7 3.7 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145953289 162113 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4169989 162113 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145973140 162505 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4176279 162505 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56679828 64063 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813099 64063 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
145953289 162113 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4169989 162113 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 468 8 3 8 3.4 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(C)(C)O)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145973140 162505 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4176279 162505 0 None - 1 Mouse 5.4 pIC50 = 5.4 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 450 6 1 7 4.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
44548374 64854 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 388 4 1 3 6.2 Cc1oc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nc1-c1ccccc1 10.1016/j.bmcl.2011.07.052
CHEMBL1824911 64854 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 388 4 1 3 6.2 Cc1oc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nc1-c1ccccc1 10.1016/j.bmcl.2011.07.052
56673505 63779 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808159 63779 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
24776445 3934 111 None -1 2 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
4227 3934 111 None -1 2 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
6975 3934 111 None -1 2 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
CHEMBL473417 3934 111 None -1 2 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
DB08828 3934 111 None -1 2 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.05.035
20885871 161972 5 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4167751 161972 5 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
50797410 162017 4 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 453 5 1 5 5.1 Cc1ccc(-c2cc3c(N4CCC(C(=O)NC(C)c5ccccc5)CC4)nccn3n2)cc1C 10.1016/j.ejmech.2018.05.035
CHEMBL4168517 162017 4 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 453 5 1 5 5.1 Cc1ccc(-c2cc3c(N4CCC(C(=O)NC(C)c5ccccc5)CC4)nccn3n2)cc1C 10.1016/j.ejmech.2018.05.035
56666699 63704 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
CHEMBL1807232 63704 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
20885871 161972 5 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4167751 161972 5 None - 1 Mouse 7.3 pIC50 = 7.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56658189 64864 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824921 64864 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 385 4 1 3 5.7 O=C(Nc1ccc(-c2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
10328 1259 58 None -3 2 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 1259 58 None -3 2 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 1259 58 None -3 2 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene methodAntagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
56668557 64849 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 333 4 1 1 5.8 O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824906 64849 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 333 4 1 1 5.8 O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
24788948 81068 0 None - 1 Mouse 8.3 pIC50 = 8.3 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160070 81068 0 None - 1 Mouse 8.3 pIC50 = 8.3 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
56669676 64070 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813106 64070 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56679830 64071 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813107 64071 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
46891299 6927 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1084737 6927 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
46890990 7215 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1086048 7215 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
25226762 14904 0 None -1 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209454 14904 0 None -1 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
56683156 64059 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 64059 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
56659601 63795 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808288 63795 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56666542 63835 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808452 63835 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
57326483 74419 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031080 74419 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 499 7 3 6 4.7 COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
145950937 162221 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
CHEMBL4171838 162221 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
20885876 161690 6 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4163487 161690 6 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145950937 162221 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
CHEMBL4171838 162221 0 None - 1 Mouse 5.3 pIC50 = 5.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 424 7 2 7 3.6 CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 10.1016/j.ejmech.2018.05.035
56673459 63839 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808456 63839 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
20885876 161690 6 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4163487 161690 6 None - 1 Mouse 6.3 pIC50 = 6.3 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 464 7 2 7 4.5 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56680082 63834 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808451 63834 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
49862313 14859 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209250 14859 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12 10.1016/j.bmcl.2010.06.006
145963332 161539 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
CHEMBL4160906 161539 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
145963332 161539 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
CHEMBL4160906 161539 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2018.05.035
24789011 81066 0 None - 1 Mouse 8.2 pIC50 = 8.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160068 81066 0 None - 1 Mouse 8.2 pIC50 = 8.2 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 510 5 2 6 6.7 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
56683159 64076 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813111 64076 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
24776445 3934 111 None -1 2 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
4227 3934 111 None -1 2 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
6975 3934 111 None -1 2 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
CHEMBL473417 3934 111 None -1 2 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
DB08828 3934 111 None -1 2 Mouse 8.2 pIC50 = 8.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2018.02.034
56658188 64858 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 383 4 1 1 6.9 O=C(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824915 64858 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 383 4 1 1 6.9 O=C(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56673517 63784 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808276 63784 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
50835422 64855 4 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824912 64855 4 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
136244207 74443 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 494 7 4 9 3.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031285 74443 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 494 7 4 9 3.5 COc1cc(C(=O)NC(=N)Nc2cccc(NC(=O)c3cn4ccsc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
1139102 74420 45 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031084 74420 45 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptorAntagonist activity at Smo receptor
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
1139102 74420 45 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
CHEMBL2031084 74420 45 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor (unknown origin)Antagonist activity at Smo receptor (unknown origin)
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1016/j.ejmech.2018.05.035
1139102 74420 45 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031084 74420 45 None - 1 Human 6.2 pIC50 = 6.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
25224707 14888 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209379 14888 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12 10.1016/j.bmcl.2010.06.006
145953652 161996 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4168100 161996 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145953652 161996 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4168100 161996 0 None - 1 Mouse 6.2 pIC50 = 6.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 478 7 2 7 4.9 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
86343736 166166 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 498 5 0 6 5.3 CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4282915 166166 0 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 498 5 0 6 5.3 CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
87057451 166542 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4289866 166542 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 418 7 0 6 5.1 COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
87057453 165976 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OCC=C(C)C)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
CHEMBL4279181 165976 0 None - 1 Mouse 5.2 pIC50 = 5.2 Functional
Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assayAntagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
ChEMBL 396 7 0 6 4.8 COc1cc(OC)c2c(=O)c(-c3ccc(OCC=C(C)C)c(OC)c3)coc2c1 10.1016/j.ejmech.2018.07.017
24776445 3934 111 None 1 2 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
4227 3934 111 None 1 2 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
6975 3934 111 None 1 2 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
CHEMBL473417 3934 111 None 1 2 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
DB08828 3934 111 None 1 2 Human 8.2 pIC50 = 8.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
53484000 64859 0 None 3 2 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824916 64859 0 None 3 2 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
136210506 74441 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 4 5 4.6 COc1cc(C(=O)NC(=N)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031283 74441 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 4 5 4.6 COc1cc(C(=O)NC(=N)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC 10.1021/jm2013369
136210504 74447 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 558 8 4 6 6.1 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031289 74447 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 558 8 4 6 6.1 COc1cc(C(=O)NC(=N)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
132578555 152080 29 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 410 4 2 3 5.2 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2F)ccn1 10.1016/j.ejmech.2018.02.034
CHEMBL3972086 152080 29 None - 1 Mouse 7.2 pIC50 = 7.2 Functional
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assayInhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
ChEMBL 410 4 2 3 5.2 Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2F)ccn1 10.1016/j.ejmech.2018.02.034
145957855 161470 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4159684 161470 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
145957855 161470 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
CHEMBL4159684 161470 0 None - 1 Mouse 5.1 pIC50 = 5.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 466 6 2 8 3.1 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC(O)C4)CC3)s2)cc1 10.1016/j.ejmech.2018.05.035
56670005 63788 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808280 63788 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56678777 64850 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 349 5 1 2 5.0 O=C(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
CHEMBL1824907 64850 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 349 5 1 2 5.0 O=C(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1 10.1016/j.bmcl.2011.07.052
49862312 14858 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2cccnc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209249 14858 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2cccnc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
24788207 81069 0 None - 1 Mouse 8.1 pIC50 = 8.1 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
CHEMBL2160071 81069 0 None - 1 Mouse 8.1 pIC50 = 8.1 Functional
Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
ChEMBL 509 5 2 5 7.3 C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 10.1016/j.bmcl.2012.09.013
49862371 14869 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 447 3 0 5 4.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2ccc3ccccc32)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209314 14869 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 447 3 0 5 4.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2ccc3ccccc32)c2ccccc12 10.1016/j.bmcl.2010.06.006
46181999 64075 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813110 64075 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
16731271 190357 0 None -4 2 Human 8.1 pIC50 = 8.1 Functional
Inhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 190357 0 None -4 2 Human 8.1 pIC50 = 8.1 Functional
Inhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
49862314 14860 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 397 3 0 5 3.8 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2cccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209251 14860 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assayAntagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
ChEMBL 397 3 0 5 3.8 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2cccc2)c2ccccc12 10.1016/j.bmcl.2010.06.006
44464875 74417 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 6.2 COc1cc(C(=O)NC(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031077 74417 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 559 8 3 6 6.2 COc1cc(C(=O)NC(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
56659806 63700 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1807228 63700 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
57326302 74429 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 6 2 7 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccccc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031254 74429 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 462 6 2 7 4.2 COc1cc(C(=O)NC(=S)Nc2cccc(-c3cn4ccccc4n3)c2)cc(OC)c1OC 10.1021/jm2013369
56673518 63792 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808284 63792 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
145990561 166256 0 None - 1 Mouse 6.1 pIC50 = 6.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 470 5 2 8 1.5 CN(C(=O)c1ccc(B(O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
CHEMBL4284509 166256 0 None - 1 Mouse 6.1 pIC50 = 6.1 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated for 1 to 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase reporter gene assay
ChEMBL 470 5 2 8 1.5 CN(C(=O)c1ccc(B(O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1 10.1039/C7MD00104E
56679827 64062 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813098 64062 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
1300425 64856 9 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 375 4 1 4 5.3 O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824913 64856 9 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 375 4 1 4 5.3 O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56669677 64072 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813108 64072 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expressionAntagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56680278 63695 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807223 63695 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56673641 63696 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807224 63696 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathwayAntagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
44463317 74422 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 541 8 3 6 5.8 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031098 74422 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 541 8 3 6 5.8 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
136210517 74444 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 3 6 4.4 COc1cc(C(=O)NC(=N)Nc2cccc(-n3ccc4ccccc43)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031286 74444 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayInhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
ChEMBL 444 6 3 6 4.4 COc1cc(C(=O)NC(=N)Nc2cccc(-n3ccc4ccccc43)c2)cc(OC)c1OC 10.1021/jm2013369
44548378 64857 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2coc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824914 64857 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 374 4 1 3 5.9 O=C(Nc1ccc(-c2coc(-c3ccccc3)n2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
56668560 64865 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
CHEMBL1824922 64865 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assayAntagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
ChEMBL 384 4 1 2 6.3 O=C(Nc1ccc(-c2ccnc(-c3ccccc3)c2)cc1)c1ccccc1Cl 10.1016/j.bmcl.2011.07.052
20859887 162175 3 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 463 5 1 4 5.7 Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCc3ccccc32)CC1 10.1016/j.ejmech.2018.05.035
CHEMBL4171049 162175 3 None - 1 Mouse 6.0 pIC50 = 6.0 Functional
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 463 5 1 4 5.7 Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCc3ccccc32)CC1 10.1016/j.ejmech.2018.05.035
45100669 105551 27 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assayAntagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assay
ChEMBL 432 5 1 7 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C 10.1016/j.ejmech.2021.113268
CHEMBL3133037 105551 27 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assayAntagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assay
ChEMBL 432 5 1 7 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C 10.1016/j.ejmech.2021.113268
10326 1840 46 None 1 2 Human 5.9 pEC50 = 5.9 Functional
Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.
Guide to Pharmacology 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 23448715
54683103 1840 46 None 1 2 Human 5.9 pEC50 = 5.9 Functional
Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.
Guide to Pharmacology 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 23448715
CHEMBL3947608 1840 46 None 1 2 Human 5.9 pEC50 = 5.9 Functional
Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.
Guide to Pharmacology 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 23448715
10327 3403 60 None - 1 Mouse 8.5 pEC50 = 8.5 Functional
Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 12391318
5284330 3403 60 None - 1 Mouse 8.5 pEC50 = 8.5 Functional
Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 12391318
CHEMBL1221983 3403 60 None - 1 Mouse 8.5 pEC50 = 8.5 Functional
Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 12391318
10356 3185 89 None -1 2 Human 6.0 pEC50 ~ 6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 16408088
5284329 3185 89 None -1 2 Human 6.0 pEC50 ~ 6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 16408088
CHEMBL1221984 3185 89 None -1 2 Human 6.0 pEC50 ~ 6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 16408088
25166913 1773 52 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
5304 1773 52 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
8201 1773 52 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
CHEMBL2043437 1773 52 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
DB11978 1773 52 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
24776445 3934 111 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
4227 3934 111 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
6975 3934 111 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
CHEMBL473417 3934 111 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
DB08828 3934 111 None -1 2 Mouse 8.1 pIC50 = 8.1 Functional
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
25166913 1773 52 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
5304 1773 52 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
8201 1773 52 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
CHEMBL2043437 1773 52 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
DB11978 1773 52 None 1 2 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C None
10334 424 18 None 1 2 Mouse 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 27180012
24905375 424 18 None 1 2 Mouse 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 27180012
CHEMBL485870 424 18 None 1 2 Mouse 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 27180012
10333 3686 70 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
49848070 3686 70 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
CHEMBL2142592 3686 70 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
DB12550 3686 70 None -12 2 Human 8.2 pIC50 = 8.2 Functional
Gli-luc reporter assay.Gli-luc reporter assay.
Guide to Pharmacology 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 28688278
10331 3411 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 479 9 2 5 6.3 CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl 12391318
1367095 3411 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 479 9 2 5 6.3 CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl 12391318
CHEMBL514344 3411 0 None - 1 Mouse 7.5 pIC50 = 7.5 Functional
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 479 9 2 5 6.3 CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl 12391318
10329 1260 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 697 12 2 5 7.3 CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2 10984056
4184747 1260 0 None - 1 Mouse 7.7 pIC50 = 7.7 Functional
Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 697 12 2 5 7.3 CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2 10984056
25166913 1773 52 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
5304 1773 52 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
8201 1773 52 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
CHEMBL2043437 1773 52 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
DB11978 1773 52 None 1 2 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 24900436
44187367 3682 26 None 18 2 Mouse 8.4 pIC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 22898254
8200 3682 26 None 18 2 Mouse 8.4 pIC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 22898254
CHEMBL2205230 3682 26 None 18 2 Mouse 8.4 pIC50 = 8.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 22898254
53344810 550 1 None 2 2 Human 8.5 pIC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
7716 550 1 None 2 2 Human 8.5 pIC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
CHEMBL4637222 550 1 None 2 2 Human 8.5 pIC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
53344810 550 1 None -2 2 Mouse 8.8 pIC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
7716 550 1 None -2 2 Mouse 8.8 pIC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
CHEMBL4637222 550 1 None -2 2 Mouse 8.8 pIC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C None
25027363 3420 23 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
8198 3420 23 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
CHEMBL538867 3420 23 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
DB12655 3420 23 None - 1 Human 8.9 pIC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 19522463
10328 1259 58 None -3 2 Mouse 7.0 pIC50 ~ 7 Functional
Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 27338657
442972 1259 58 None -3 2 Mouse 7.0 pIC50 ~ 7 Functional
Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 27338657
CHEMBL254129 1259 58 None -3 2 Mouse 7.0 pIC50 ~ 7 Functional
Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 27338657




Ligands Receptor Assay information Chemical information
Sel. page Common
name
GPCRdb ID #Vendors Reference
ligand
Fold selectivity
(Affinity)
# tested GPCRs
(Affinity)
Species p-value
(-log)
Type Activity
Relation
Activity
Value
Assay Type Assay Description Source Mol
weight
Rot
Bonds
H don H acc LogP Smiles DOI
25253713 176487 3 None - 0 Human 9.3 pEC50 = 9.3 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 176487 3 None - 0 Human 9.3 pEC50 = 9.3 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156019072 177306 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4644674 177306 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156013465 176924 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 429 6 1 5 6.0 Cc1csc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)n1 10.1016/j.bmc.2019.115227
CHEMBL4639432 176924 0 None - 0 Mouse 9.1 pEC50 = 9.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 429 6 1 5 6.0 Cc1csc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)n1 10.1016/j.bmc.2019.115227
25253713 176487 3 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 176487 3 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156019009 177211 0 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2ccc(N)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4643226 177211 0 None - 0 Mouse 9.0 pEC50 = 9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2ccc(N)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156021408 177536 0 None - 0 Mouse 9.0 pEC50 = 9.0 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1cc(C)c(-c2c[nH]nc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4648026 177536 0 None - 0 Mouse 9.0 pEC50 = 9.0 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1cc(C)c(-c2c[nH]nc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
53344810 550 1 None - 0 Human 8.8 pEC50 = 8.8 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 550 1 None - 0 Human 8.8 pEC50 = 8.8 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 550 1 None - 0 Human 8.8 pEC50 = 8.8 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
156012199 176759 0 None - 0 Mouse 8.8 pEC50 = 8.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2cccc(N)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4637249 176759 0 None - 0 Mouse 8.8 pEC50 = 8.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 424 6 2 5 5.2 Cc1cc(C)c(-c2cccc(N)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
25181471 76129 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2ncc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059862 76129 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2ncc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67378301 75699 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2057337 75699 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
10326 1840 46 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 10.1016/j.ejmech.2016.05.062
54683103 1840 46 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 10.1016/j.ejmech.2016.05.062
CHEMBL3947608 1840 46 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O 10.1016/j.ejmech.2016.05.062
134133528 143032 0 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 7 2 6 4.2 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3899175 143032 0 None - 0 Mouse 5.9 pEC50 = 5.9 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 7 2 6 4.2 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
25253556 76132 13 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 76132 13 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156012240 176842 0 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2ncc[nH]2)c(C)c1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4638476 176842 0 None - 0 Mouse 7.9 pEC50 = 7.9 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2ncc[nH]2)c(C)c1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
25253556 76132 13 None - 0 Human 7.9 pEC50 = 7.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059865 76132 13 None - 0 Human 7.9 pEC50 = 7.9 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
10327 3403 60 None - 1 Mouse 6.9 pEC50 = 6.9 Binding
Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayAgonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
5284330 3403 60 None - 1 Mouse 6.9 pEC50 = 6.9 Binding
Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayAgonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
CHEMBL1221983 3403 60 None - 1 Mouse 6.9 pEC50 = 6.9 Binding
Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayAgonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
25253556 76132 13 None - 0 Human 6.9 pEC50 = 6.9 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 76132 13 None - 0 Human 6.9 pEC50 = 6.9 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
132991430 151295 0 None - 0 Mouse 6.9 pEC50 = 6.9 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 151295 0 None - 0 Mouse 6.9 pEC50 = 6.9 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67374621 76131 2 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059864 76131 2 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
54687077 145626 13 None - 0 Mouse 5.8 pEC50 = 5.8 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 11 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3919826 145626 13 None - 0 Mouse 5.8 pEC50 = 5.8 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 11 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
68780150 176707 0 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 402 6 2 4 4.8 Cc1cc(F)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4636326 176707 0 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 402 6 2 4 4.8 Cc1cc(F)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70694800 76142 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059875 76142 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
25253556 76132 13 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 76132 13 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67374618 76128 1 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059861 76128 1 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67374618 76128 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059861 76128 1 None - 0 Human 7.8 pEC50 = 7.8 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
24776445 3934 111 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 3934 111 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 3934 111 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 3934 111 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 3934 111 None - 1 Human 8.7 pEC50 = 8.7 Binding
Binding affinity to human SMOBinding affinity to human SMO
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
24776445 3934 111 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 3934 111 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 3934 111 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 3934 111 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 3934 111 None - 1 Mouse 8.7 pEC50 = 8.7 Binding
Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
156018577 177280 0 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2cccnc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4644175 177280 0 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 409 6 1 4 5.6 Cc1cc(C)c(-c2cccnc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
53344810 550 1 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 550 1 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 550 1 None - 0 Mouse 8.6 pEC50 = 8.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
141233592 176712 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 446 6 1 5 5.6 Cc1cc(Cl)c(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4636369 176712 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 446 6 1 5 5.6 Cc1cc(Cl)c(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
123232871 177038 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1 10.1016/j.bmc.2019.115227
CHEMBL4640840 177038 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 2 4 5.2 Cc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1 10.1016/j.bmc.2019.115227
25253713 176487 3 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 176487 3 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67618850 152327 0 None - 0 Mouse 5.7 pEC50 = 5.7 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 498 10 2 6 5.9 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCc3ccccc3)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3974265 152327 0 None - 0 Mouse 5.7 pEC50 = 5.7 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 498 10 2 6 5.9 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCc3ccccc3)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
70690618 76135 1 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059868 76135 1 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70690618 76135 1 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059868 76135 1 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70688555 76130 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059863 76130 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
142702918 176710 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4636352 176710 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
132991430 151295 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 151295 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
134139288 146034 0 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 426 7 2 6 4.1 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(F)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3922897 146034 0 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 426 7 2 6 4.1 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(F)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
54679507 146330 14 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 7 2 6 3.9 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3925255 146330 14 None - 0 Mouse 5.6 pEC50 = 5.6 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 7 2 6 3.9 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
70682196 76136 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059869 76136 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70682196 76136 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059869 76136 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67379418 76141 3 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059873 76141 3 None - 0 Human 7.6 pEC50 = 7.6 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70696850 76139 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059871 76139 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
24776445 3934 111 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 3934 111 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 3934 111 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 3934 111 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 3934 111 None - 1 Human 8.5 pEC50 = 8.5 Binding
Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assayDisplacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
53344810 550 1 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 550 1 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 550 1 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Binding affinity to mouse SMOBinding affinity to mouse SMO
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
141233599 176757 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 448 6 2 4 6.1 Cc1cc(C)c(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4637218 176757 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 448 6 2 4 6.1 Cc1cc(C)c(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
156020817 177492 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 440 6 1 5 5.5 Cc1cc(C)c(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4647379 177492 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 440 6 1 5 5.5 Cc1cc(C)c(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
10327 3403 60 None - 1 Mouse 7.5 pEC50 = 7.5 Binding
Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factorAgonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factor
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
5284330 3403 60 None - 1 Mouse 7.5 pEC50 = 7.5 Binding
Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factorAgonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factor
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
CHEMBL1221983 3403 60 None - 1 Mouse 7.5 pEC50 = 7.5 Binding
Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factorAgonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factor
ChEMBL 489 6 1 4 6.8 CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1 10.1016/j.ejmech.2016.05.062
141233611 176803 0 None - 0 Mouse 7.5 pEC50 = 7.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cnc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4637915 176803 0 None - 0 Mouse 7.5 pEC50 = 7.5 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cnc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
68778068 76126 1 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059859 76126 1 None - 0 Human 7.5 pEC50 = 7.5 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67627060 150444 0 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 8 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3958271 150444 0 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 464 8 2 6 5.5 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
54697820 152970 12 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 7 2 6 3.7 C=CCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3979766 152970 12 None - 0 Mouse 5.5 pEC50 = 5.5 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 7 2 6 3.7 C=CCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
134141883 146547 0 None - 0 Mouse 6.4 pEC50 = 6.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 468 9 2 8 4.0 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3927217 146547 0 None - 0 Mouse 6.4 pEC50 = 6.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 468 9 2 8 4.0 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
54679498 142036 9 None - 0 Mouse 5.4 pEC50 = 5.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3891055 142036 9 None - 0 Mouse 5.4 pEC50 = 5.4 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
67379186 76127 1 None - 0 Mouse 7.4 pEC50 = 7.4 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059860 76127 1 None - 0 Mouse 7.4 pEC50 = 7.4 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
67379186 76127 1 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059860 76127 1 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
24776445 3934 111 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 3934 111 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 3934 111 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 3934 111 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 3934 111 None - 1 Mouse 8.3 pEC50 = 8.3 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
70694801 76143 2 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059876 76143 2 None - 0 Human 7.4 pEC50 = 7.4 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
132991430 151295 0 None - 0 Mouse 7.3 pEC50 = 7.3 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 151295 0 None - 0 Mouse 7.3 pEC50 = 7.3 Binding
Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
134147508 149519 0 None - 0 Mouse 5.3 pEC50 = 5.3 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 442 7 2 6 4.6 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(Cl)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3950627 149519 0 None - 0 Mouse 5.3 pEC50 = 5.3 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 442 7 2 6 4.6 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(Cl)ccc3n(CCC)c2=O)cc1 10.1016/j.ejmech.2016.05.062
69672428 146083 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 463 11 3 5 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)NCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3923290 146083 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 463 11 3 5 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)NCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
68780878 76134 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmc.2019.115227
CHEMBL2059867 76134 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmc.2019.115227
25254030 177047 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4641050 177047 0 None - 0 Mouse 8.2 pEC50 = 8.2 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 432 6 1 5 5.3 Cc1cc(Cl)c(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
54683108 142438 14 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3894352 142438 14 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 10 2 6 5.1 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
57331381 151990 0 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 8 3 5 4.2 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)O)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3971451 151990 0 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 408 8 3 5 4.2 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)O)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
69673604 143542 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 9 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3903318 143542 0 None - 0 Mouse 5.2 pEC50 = 5.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 450 9 2 6 5.1 CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
68780878 76134 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059867 76134 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
141233616 177193 0 None - 0 Mouse 8.1 pEC50 = 8.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 418 6 2 4 5.3 Cc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4642917 177193 0 None - 0 Mouse 8.1 pEC50 = 8.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 418 6 2 4 5.3 Cc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
54679533 151874 13 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3970506 151874 13 None - 0 Mouse 6.2 pEC50 = 6.2 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 436 9 2 6 4.7 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
67375395 75698 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 411 6 2 6 4.3 Cc1ccc(-c2ccc(N)nn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2057336 75698 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 411 6 2 6 4.3 Cc1ccc(-c2ccc(N)nn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70692760 76138 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059870 76138 1 None - 0 Human 8.1 pEC50 = 8.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
10356 3185 89 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1016/j.ejmech.2016.05.062
5284329 3185 89 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1016/j.ejmech.2016.05.062
CHEMBL1221984 3185 89 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1016/j.ejmech.2016.05.062
54683102 148384 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3941789 148384 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
54676175 149986 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 5 2 6 3.5 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1 10.1016/j.ejmech.2016.05.062
CHEMBL3954578 149986 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 406 5 2 6 3.5 CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1 10.1016/j.ejmech.2016.05.062
70684298 76133 2 None - 0 Mouse 7.1 pEC50 = 7.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059866 76133 2 None - 0 Mouse 7.1 pEC50 = 7.1 Binding
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrsInhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70684298 76133 2 None - 0 Human 7.1 pEC50 = 7.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059866 76133 2 None - 0 Human 7.1 pEC50 = 7.1 Binding
Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysisInhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
54676600 151351 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
CHEMBL3965788 151351 14 None - 0 Mouse 6.1 pEC50 = 6.1 Binding
Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assayActivity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
ChEMBL 422 8 2 6 4.3 CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21 10.1016/j.ejmech.2016.05.062
25253713 176487 3 None - 0 Human 10.1 pIC50 = 10.1 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL4632769 176487 3 None - 0 Human 10.1 pIC50 = 10.1 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
53344810 550 1 None - 0 Human 9.7 pIC50 = 9.7 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
7716 550 1 None - 0 Human 9.7 pIC50 = 9.7 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
CHEMBL4637222 550 1 None - 0 Human 9.7 pIC50 = 9.7 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 412 6 1 5 4.9 Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C 10.1016/j.bmc.2019.115227
24776445 3934 111 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
4227 3934 111 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
6975 3934 111 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
CHEMBL473417 3934 111 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
DB08828 3934 111 None - 1 Human 9.4 pIC50 = 9.4 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2019.115227
46891200 6729 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083915 6729 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
25226761 14905 0 None - 0 Mouse 9.2 pIC50 = 9.2 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209455 14905 0 None - 0 Mouse 9.2 pIC50 = 9.2 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 477 3 0 5 5.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
46891199 7307 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1086467 7307 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
10333 3686 70 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
49848070 3686 70 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
CHEMBL2142592 3686 70 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
DB12550 3686 70 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2022.117051
44186313 187403 0 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 187403 0 None - 0 Mouse 8.9 pIC50 = 8.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25027363 3420 23 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
8198 3420 23 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
CHEMBL538867 3420 23 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
DB12655 3420 23 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamineInhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
ChEMBL 504 2 2 4 5.0 C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C 10.1021/jm900305z
49840814 81065 0 None - 0 Mouse 8.8 pIC50 = 8.8 Binding
Antagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 81065 0 None - 0 Mouse 8.8 pIC50 = 8.8 Binding
Antagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
24797889 178513 0 None - 0 Human 8.0 pIC50 = 8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
CHEMBL471672 178513 0 None - 0 Human 8.0 pIC50 = 8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
44591268 179575 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474893 179575 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56678644 64598 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822465 64598 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56671929 64599 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822466 64599 0 None - 0 Human 8.0 pIC50 = 8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44186376 190776 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 190776 0 None - 0 Mouse 8.0 pIC50 = 8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
8440567 14825 3 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
CHEMBL1209095 14825 3 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
122185870 122240 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604612 122240 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
46891247 6924 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 464 3 0 4 5.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084733 6924 0 None - 0 Human 8.0 pIC50 = 8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 464 3 0 4 5.9 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
89736080 131686 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 456 6 2 6 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696810 131686 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 456 6 2 6 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
46891045 6664 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 4 4.4 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1083739 6664 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 4 4.4 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
56682216 64557 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822294 64557 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56669675 64066 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813102 64066 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
59191590 142072 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891390 142072 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
59191583 142083 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891481 142083 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
59191578 142485 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
CHEMBL3894764 142485 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
59191562 142838 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 142838 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191512 143837 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3905798 143837 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
67177357 143950 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
CHEMBL3906764 143950 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
59191632 144262 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 144262 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191644 144665 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3912445 144665 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
59191542 145018 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3915100 145018 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
59191456 145609 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3919707 145609 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
59191634 146505 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3926840 146505 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
59191585 146568 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 146568 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191554 146597 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3927593 146597 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
59191591 146833 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3929514 146833 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
59191586 146905 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3930063 146905 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191540 146988 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
CHEMBL3930632 146988 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
59191556 147497 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3934557 147497 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
59191642 148393 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 148393 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191563 149273 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3948598 149273 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191526 149298 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 149298 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191541 149348 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 149348 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191633 149818 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 446 5 1 8 3.1 Cc1c(C(=O)c2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3953149 149818 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 446 5 1 8 3.1 Cc1c(C(=O)c2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
59191577 150089 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 150089 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191654 150318 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3957159 150318 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191513 150331 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3957247 150331 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191494 150417 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3958040 150417 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67177962 150438 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 150438 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 150611 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 150611 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191471 150665 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 150665 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191530 151316 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
CHEMBL3965473 151316 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
59191489 151317 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 151317 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191557 151353 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3965793 151353 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
70928939 151375 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 151375 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191610 151494 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
CHEMBL3967092 151494 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
59191595 151932 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 151932 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191520 152245 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
CHEMBL3973612 152245 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
59191495 152706 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 152706 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191558 152800 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
CHEMBL3978301 152800 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
67177399 152981 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
CHEMBL3979837 152981 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
59191476 153104 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
CHEMBL3980924 153104 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
67176553 153258 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
CHEMBL3982279 153258 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
67177523 153731 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 153731 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191486 153747 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 153747 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
59191583 142083 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891481 142083 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
68553986 142231 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 142231 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191578 142485 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
CHEMBL3894764 142485 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
59191517 142626 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3895940 142626 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
59191512 143837 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3905798 143837 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
59191632 144262 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 144262 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191542 145018 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3915100 145018 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
59191585 146568 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 146568 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191554 146597 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3927593 146597 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
59191591 146833 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3929514 146833 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
59191586 146905 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3930063 146905 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191540 146988 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
CHEMBL3930632 146988 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 458 4 0 4 5.7 CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)cc1 nan
59191604 148091 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
CHEMBL3939322 148091 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
59191642 148393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 148393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191563 149273 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3948598 149273 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191526 149298 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 149298 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191541 149348 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 149348 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191577 150089 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 150089 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191513 150331 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3957247 150331 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191494 150417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3958040 150417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67177962 150438 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 150438 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 150611 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 150611 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191471 150665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 150665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191489 151317 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 151317 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191557 151353 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3965793 151353 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
70928939 151375 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 151375 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191610 151494 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
CHEMBL3967092 151494 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
59191641 151791 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 151791 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191595 151932 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 151932 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191495 152706 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 152706 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191558 152800 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
CHEMBL3978301 152800 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
59191476 153104 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
CHEMBL3980924 153104 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
67177523 153731 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 153731 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191486 153747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 153747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
45268412 194567 0 None - 0 Human 7.0 pIC50 = 7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(OC)c2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561735 194567 0 None - 0 Human 7.0 pIC50 = 7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(OC)c2)c1 10.1016/j.bmcl.2009.05.112
122185879 122246 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 433 5 2 6 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(C#N)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604621 122246 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 433 5 2 6 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(C#N)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
68551933 141881 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 141881 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
68553986 142231 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 142231 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
67179540 142699 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 142699 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191507 142925 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3898393 142925 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
67178105 143589 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3903694 143589 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191503 143843 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3905821 143843 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191596 143885 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 143885 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67177357 143950 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
CHEMBL3906764 143950 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
59191632 144262 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 144262 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191643 146093 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3923355 146093 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191585 146568 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 146568 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191638 147393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
CHEMBL3933708 147393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
59191567 147433 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 147433 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 147973 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 147973 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 147996 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 147996 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191642 148393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 148393 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191504 148732 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
CHEMBL3944445 148732 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
59191526 149298 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 149298 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191541 149348 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 149348 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191496 149531 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3950710 149531 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
59191501 149649 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 149649 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
59191527 149849 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3953389 149849 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
59191577 150089 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 150089 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191654 150318 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3957159 150318 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
67177962 150438 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 150438 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 150611 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 150611 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191471 150665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 150665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191530 151316 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
CHEMBL3965473 151316 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
59191489 151317 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 151317 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191529 151504 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 151504 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
59191595 151932 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 151932 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191520 152245 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
CHEMBL3973612 152245 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
59191575 153376 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3983242 153376 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
67177523 153731 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 153731 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191486 153747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 153747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
59191560 141850 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 589 7 0 7 5.6 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3889599 141850 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 589 7 0 7 5.6 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCc4ccccc4)cn3)[C@H](C)C2)c1C nan
59191590 142072 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891390 142072 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 8 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCCO)cn3)[C@H](C)C2)c1C nan
59191583 142083 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3891481 142083 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 491 8 3 9 1.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(O)CO)cn3)[C@H](C)C2)c1C nan
59191578 142485 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
CHEMBL3894764 142485 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 402 4 0 5 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C nan
59191467 143035 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 439 4 0 5 4.3 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)CC2)nc1 nan
CHEMBL3899187 143035 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 439 4 0 5 4.3 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)CC2)nc1 nan
59191587 143445 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 496 5 0 7 4.3 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3902706 143445 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 496 5 0 7 4.3 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
70929068 143520 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 7 1 8 3.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)N(C)CCO)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3903125 143520 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 7 1 8 3.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)N(C)CCO)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
67178105 143589 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3903694 143589 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 446 5 0 9 2.6 COC(=O)c1cnc(N2CCN(c3nnc(C(=O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191635 143914 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 2 8 3.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3906492 143914 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 2 8 3.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
59191576 144355 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 4 0 5 4.6 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c(F)c1 nan
CHEMBL3910022 144355 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 4 0 5 4.6 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c(F)c1 nan
59191548 144576 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 6 4.1 Cc1c(Cc2ccccc2)nnc(C2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3911804 144576 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 6 4.1 Cc1c(Cc2ccccc2)nnc(C2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C nan
59191644 144665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3912445 144665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 6 1 7 3.1 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CC4)cn3)[C@H](C)C2)c1C nan
59191542 145018 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3915100 145018 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 6 2 8 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC4CCC(O)CC4)cn3)[C@H](C)C2)c1C nan
59191615 145095 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 523 4 0 7 5.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3915663 145095 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 523 4 0 7 5.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191456 145609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3919707 145609 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 515 5 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4C[C@H](C)O[C@H](C)C4)cn3)[C@H](C)C2)c1C nan
59191545 145873 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 6 0 8 4.4 CCOC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3921763 145873 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 6 0 8 4.4 CCOC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191515 145969 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 430 6 0 7 3.8 CC[C@@H]1CN(c2nnc(Cc3ccccc3)c(C)c2C)CCN1c1cnc(C(C)=O)cn1 nan
CHEMBL3922446 145969 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 430 6 0 7 3.8 CC[C@@H]1CN(c2nnc(Cc3ccccc3)c(C)c2C)CCN1c1cnc(C(C)=O)cn1 nan
59191465 145988 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 7 2 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)(C)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3922623 145988 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 7 2 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NC(C)(C)CO)cn3)[C@H](C)C2)c1C nan
59191643 146093 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3923355 146093 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 544 8 0 9 4.9 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cncc(OC)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
45107175 146320 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 416 5 0 7 3.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3925179 146320 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 416 5 0 7 3.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191634 146505 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3926840 146505 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 2 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C nan
68550391 146531 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 536 5 1 7 4.7 Cc1c(Cc2ccc(F)cc2F)nnc(N2CCN(c3ncc(C(C)(C)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3927084 146531 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 536 5 1 7 4.7 Cc1c(Cc2ccc(F)cc2F)nnc(N2CCN(c3ncc(C(C)(C)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191585 146568 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3927351 146568 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 456 3 0 6 4.5 Cc1c(-c2ccc(F)c(C#N)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191554 146597 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3927593 146597 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 618 5 0 9 3.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(S(C)(=O)=O)CC4)cn3)[C@H](C)C2)c1C nan
59191591 146833 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3929514 146833 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 529 7 1 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCC(CCO)CC4)cn3)[C@H](C)C2)c1C nan
59191586 146905 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3930063 146905 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 414 3 0 6 3.9 Cc1c(-c2ccncc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191533 147097 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3931348 147097 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 3.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)O)cn3)[C@H](C)C2)c1C nan
59191535 147436 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 6 1 8 2.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3934045 147436 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 6 1 8 2.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)CO)cn3)[C@H](C)C2)c1C nan
59191556 147497 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
CHEMBL3934557 147497 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 7 1 8 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N(C)CCO)cn3)[C@H](C)C2)c1C nan
59191508 147834 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 7 1 7 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)C)cn3)[C@H](C)C2)c1C nan
CHEMBL3937323 147834 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 7 1 7 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)C)cn3)[C@H](C)C2)c1C nan
59191604 148091 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
CHEMBL3939322 148091 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 597 4 0 9 4.3 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)N4CCC5(CC4)OCCO5)cn3)[C@H](C)C2)c1C nan
59191543 148460 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 445 4 0 5 4.6 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3942299 148460 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 445 4 0 5 4.6 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191472 148511 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 431 3 0 5 4.6 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3942727 148511 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 431 3 0 5 4.6 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
45100666 148705 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 8 2.8 Cc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3944267 148705 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 8 2.8 Cc1c(Cc2ccccn2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C nan
59191547 148791 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)cc1 nan
CHEMBL3944996 148791 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)cc1 nan
67179023 148968 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 504 5 0 6 4.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H](C)C2)c1C nan
CHEMBL3946402 148968 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 504 5 0 6 4.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H](C)C2)c1C nan
59191563 149273 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3948598 149273 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 427 4 0 5 4.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191526 149298 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
CHEMBL3948829 149298 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 4 0 4 5.4 Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccc(C(C)(C)C)cc3)CC2)c1C nan
59191477 149526 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 499 6 1 7 3.5 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(F)(F)F)cn3)[C@H](C)C2)c1C nan
CHEMBL3950687 149526 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 499 6 1 7 3.5 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(F)(F)F)cn3)[C@H](C)C2)c1C nan
59191496 149531 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3950710 149531 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 9 3.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)CC2)nc1C(F)(F)F nan
59191479 149718 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 484 5 0 7 4.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3952417 149718 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 484 5 0 7 4.4 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191649 150043 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 7 4.6 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3955058 150043 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 0 7 4.6 CC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191577 150089 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
CHEMBL3955346 150089 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 453 4 0 5 4.6 Cc1ccccc1Cc1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 nan
59191654 150318 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3957159 150318 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 546 7 0 8 5.4 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)nc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191513 150331 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3957247 150331 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 0 8 2.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191494 150417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3958040 150417 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 426 4 0 4 5.5 Cc1c(Cc2ccccc2)nnc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191471 150665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3959845 150665 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4cccnc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191528 150905 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 4 5.4 Cc1c(Cc2ccccc2)nnc(N2CCC(F)(c3ccc(C(C)(C)O)cc3)CC2)c1C nan
CHEMBL3961874 150905 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 4 5.4 Cc1c(Cc2ccccc2)nnc(N2CCC(F)(c3ccc(C(C)(C)O)cc3)CC2)c1C nan
59191536 151437 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 8 1 8 2.6 CCN(CCO)C(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3966631 151437 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 489 8 1 8 2.6 CCN(CCO)C(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191610 151494 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
CHEMBL3967092 151494 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 522 8 1 8 3.6 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCc4ccccn4)cn3)[C@H](C)C2)c1C nan
59191608 151498 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 447 3 0 5 5.2 Cc1c(-c2cccc(Cl)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3967114 151498 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 447 3 0 5 5.2 Cc1c(-c2cccc(Cl)c2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191561 152033 14 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3971766 152033 14 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191520 152245 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
CHEMBL3973612 152245 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 473 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4Cl)c4c3CCC4)CC2)nc1 nan
59191469 152372 1 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 1 8 4.1 COc1ccc(-c2nnc(N3CCN(c4ncc(C(C)(C)O)c(C(F)(F)F)n4)CC3)c(C)c2C)cc1 nan
CHEMBL3974732 152372 1 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 502 5 1 8 4.1 COc1ccc(-c2nnc(N3CCN(c4ncc(C(C)(C)O)c(C(F)(F)F)n4)CC3)c(C)c2C)cc1 nan
59191558 152800 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
CHEMBL3978301 152800 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 582 4 0 8 3.6 CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4nnc(-c5ccc(C(F)(F)F)cc5)c(C)c4C)C[C@H]3C)cn2)CC1 nan
67177399 152981 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
CHEMBL3979837 152981 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 5 1 4 3.7 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)NCc3ccccc3)CC2)c1C nan
59191476 153104 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
CHEMBL3980924 153104 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 471 4 0 5 4.8 Fc1ccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCCC3)cc1 nan
67176553 153258 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
CHEMBL3982279 153258 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 401 4 1 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C nan
59191575 153376 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3983242 153376 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 512 5 0 8 3.9 COC(=O)c1ncc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)nc1C(F)(F)F nan
59191470 153449 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 518 5 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
CHEMBL3983876 153449 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 518 5 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccc(F)cc4)c(C)c3C)C[C@H]2C)nc1C(F)(F)F nan
59191486 153747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986486 153747 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 530 8 1 9 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCOCC4)cn3)[C@H](C)C2)c1C nan
59191622 153755 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 487 5 0 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3986550 153755 0 None - 0 Mouse 7.0 pIC50 = 7 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 487 5 0 8 2.7 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCOCC4)cn3)[C@H](C)C2)c1C nan
89751034 131658 0 None - 0 Human 7.0 pIC50 = 7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 4 1 5 2.8 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2C[C@@H]3NS(C)(=O)=O)ncc1Cl nan
CHEMBL3696782 131658 0 None - 0 Human 7.0 pIC50 = 7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 4 1 5 2.8 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2C[C@@H]3NS(C)(=O)=O)ncc1Cl nan
56662004 64733 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 451 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(F)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823590 64733 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 451 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(F)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56668924 64741 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823616 64741 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
44629066 64742 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 4 0 5 5.4 O=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823617 64742 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 4 0 5 5.4 O=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56670006 63793 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
CHEMBL1808285 63793 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 480 4 0 3 4.4 CN(C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2011.06.024
68551933 141881 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 141881 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
68553986 142231 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 142231 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
67179540 142699 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 142699 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191596 143885 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 143885 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67176532 144353 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 144353 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 145102 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 145102 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191639 145567 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 145567 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191567 147433 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 147433 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 147973 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 147973 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 147996 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 147996 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191501 149649 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 149649 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
70918868 150120 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 150120 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
68571886 150788 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 150788 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191529 151504 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 151504 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
59191641 151791 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 151791 0 None - 0 Human 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from human Smo by radio-ligand competition binding assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
68551933 141881 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 141881 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
67179540 142699 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 142699 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191562 142838 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 142838 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191596 143885 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 143885 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67176532 144353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 144353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 145102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 145102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191639 145567 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 145567 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191567 147433 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 147433 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 147973 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 147973 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 147996 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 147996 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191501 149649 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 149649 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
70918868 150120 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 150120 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
68571886 150788 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 150788 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191529 151504 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 151504 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Displacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assayDisplacement of radio-labeled smoothened agonist from mouse Smo by radio-ligand competition binding assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
134133070 144264 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 482 5 1 3 7.5 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1cccc(-c3ccc(OC(F)(F)F)cc3)c1C)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3909304 144264 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 482 5 1 3 7.5 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1cccc(-c3ccc(OC(F)(F)F)cc3)c1C)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
59191562 142838 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 142838 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
67176532 144353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 144353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 145102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 145102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191639 145567 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 145567 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
70918868 150120 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 150120 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
68571886 150788 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 150788 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
70928939 151375 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 151375 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
70975738 151559 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3967640 151559 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191641 151791 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 151791 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67179891 151850 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3970317 151850 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191500 152215 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3973278 152215 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191495 152706 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 152706 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191579 153228 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3981990 153228 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 1 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
68551933 141881 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
CHEMBL3889851 141881 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 415 4 1 4 4.8 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C nan
68553986 142231 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3892588 142231 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 441 5 1 6 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(C#N)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191517 142626 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3895940 142626 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 nan
67179540 142699 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
CHEMBL3896503 142699 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 381 4 1 4 4.4 Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C nan
59191562 142838 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3897743 142838 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 418 5 1 7 2.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191507 142925 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3898393 142925 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 556 7 0 8 5.5 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)CC2)cc1C(F)(F)F nan
59191512 143837 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3905798 143837 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 514 8 1 8 3.0 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCCC4)cn3)[C@H](C)C2)c1C nan
59191503 143843 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
CHEMBL3905821 143843 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 7 0 8 5.2 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccncc4)c(C)c3C)C[C@H]2C)cc1C(F)(F)F nan
59191596 143885 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
CHEMBL3906243 143885 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3Cc4ccccc4C3)CC2)c1C nan
67177357 143950 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
CHEMBL3906764 143950 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 0 7 3.6 COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1 nan
59191632 144262 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
CHEMBL3909290 144262 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 6 2 8 4.6 Cc1c(Nc2ccccc2)nnc(N2CCN(c3cnc(C(=O)Nc4ccccc4)cn3)[C@H](C)C2)c1C nan
67176532 144353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
CHEMBL3910002 144353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 5 1 7 3.9 Cc1c(Cc2ccccc2)nnc(N2CCN(c3ncc(C(=O)O)c(C(F)(F)F)n3)[C@H](C)C2)c1C nan
59191637 145102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
CHEMBL3915704 145102 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 372 5 0 4 4.0 Cc1c(Cc2ccccc2)nnc(N2CCN(Cc3ccccc3)CC2)c1C nan
59191490 145196 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 413 3 0 5 4.5 Cc1c(-c2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3916441 145196 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 413 3 0 5 4.5 Cc1c(-c2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
59191639 145567 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3919359 145567 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 494 5 0 8 4.7 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccccc4-c4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
59191623 145680 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 444 5 0 8 2.8 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)cn1 nan
CHEMBL3920191 145680 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 444 5 0 8 2.8 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)C[C@H]2C)cn1 nan
59191638 147393 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
CHEMBL3933708 147393 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 475 6 0 7 4.0 CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4c3CCCC4)CC2)nc1 nan
59191567 147433 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
CHEMBL3934007 147433 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 nan
59191629 147973 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3938334 147973 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 543 8 1 9 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCCN4CCN(C)CC4)cn3)[C@H](C)C2)c1C nan
59191624 147996 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
CHEMBL3938550 147996 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 417 5 1 7 2.3 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cncc(C(N)=O)n3)[C@H](C)C2)c1C nan
59191642 148393 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
CHEMBL3941852 148393 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 528 6 0 8 3.4 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCN(C(C)C)CC4)cn3)[C@H](C)C2)c1C nan
59191504 148732 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
CHEMBL3944445 148732 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 0 8 3.0 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@@H]2C)cn1 nan
59191541 149348 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
CHEMBL3949191 149348 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 432 5 2 6 3.8 Cc1c(Cc2ccccc2)nnc(N2CCC(O)(c3ccc(C(C)(C)O)cn3)CC2)c1C nan
59191501 149649 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
CHEMBL3951798 149649 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 0 4 4.7 Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C nan
59191527 149849 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
CHEMBL3953389 149849 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 506 4 0 8 4.3 COC(=O)c1cnc(N2CCN(c3nnc(-c4cccc(Cl)c4)c(C)c3C)CC2)nc1C(F)(F)F nan
70918868 150120 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3955601 150120 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 412 4 1 5 4.5 Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C nan
67177962 150438 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
CHEMBL3958236 150438 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 398 4 1 5 4.3 Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C nan
59191573 150611 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
CHEMBL3959511 150611 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 555 8 0 7 6.6 CCCCOC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(C)C)cc4)c(C)c3C)CC2)cc1C(F)(F)F nan
68571886 150788 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3960935 150788 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 422 4 1 7 3.1 Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191530 151316 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
CHEMBL3965473 151316 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 457 4 0 5 4.4 Fc1cccc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3c2CCC3)c1 nan
59191489 151317 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
CHEMBL3965479 151317 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 500 5 1 8 1.8 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)N4CCNC(=O)C4)cn3)[C@H](C)C2)c1C nan
59191557 151353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3965793 151353 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 0 9 2.4 COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 nan
70928939 151375 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
CHEMBL3966039 151375 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 7 4.0 Cc1c(-c2ccc(C(F)(F)F)cc2)nnc(N2CCN(c3cnc(C(=O)O)cn3)[C@H](C)C2)c1C nan
59191529 151504 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
CHEMBL3967151 151504 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 4 0 8 3.1 Cc1nnc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)o1 nan
70975738 151559 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3967640 151559 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 486 4 0 8 4.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(C(F)(F)F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191641 151791 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
CHEMBL3969729 151791 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 455 4 0 5 5.6 Cc1c(-c2ccc(C(C)C)cc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C nan
67179891 151850 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3970317 151850 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 436 4 0 8 3.2 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191595 151932 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
CHEMBL3971008 151932 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 434 6 2 8 2.2 Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(O)CO)cn3)[C@H](C)C2)c1C nan
59191500 152215 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3973278 152215 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 448 5 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(OC)cc4)c(C)c3C)C[C@H]2C)cn1 nan
59191495 152706 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3977460 152706 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 461 4 0 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(C#N)c4)c(C)c3C)C[C@H]2C)cn1 nan
59191579 153228 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3981990 153228 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 470 4 0 8 3.8 COC(=O)c1cnc(N2CCN(c3nnc(-c4ccc(F)c(Cl)c4)c(C)c3C)C[C@H]2C)cn1 nan
67177523 153731 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
CHEMBL3986419 153731 0 None - 0 Mouse 6.0 pIC50 = 6 Binding
Inhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assayInhibition of mouse recombinant Shh protein in mouse TMHh12 cells assessed as inhibition of 25 nM Smo agonist-induced hedgehog signalling response by Gli-luciferase reporter gene assay
ChEMBL 433 5 1 9 3.1 COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 nan
45271780 193566 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 4 1 3 4.4 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1 10.1016/j.bmcl.2009.05.112
CHEMBL550928 193566 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 4 1 3 4.4 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)C1CCCCC1 10.1016/j.bmcl.2009.05.112
45272649 194708 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 345 4 1 3 4.1 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 10.1016/j.bmcl.2009.05.112
CHEMBL562650 194708 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 345 4 1 3 4.1 O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 10.1016/j.bmcl.2009.05.112
45268389 194763 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 311 4 1 3 3.4 CC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563007 194763 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 311 4 1 3 3.4 CC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
45272645 194879 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 3 1 3 3.8 CC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563781 194879 0 None - 0 Human 5.0 pIC50 = 5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 3 1 3 3.8 CC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
89736171 131630 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 7 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(CNCCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696755 131630 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 7 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(CNCCS(C)(=O)=O)CC2)ncc1Cl nan
44186429 187321 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 187321 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
57539117 75166 1 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 349 3 3 3 3.5 CN1CC[C@@H](NC(=O)Nc2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043429 75166 1 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 349 3 3 3 3.5 CN1CC[C@@H](NC(=O)Nc2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
44186310 187208 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 187208 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862197 14827 11 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209099 14827 11 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
89736342 131074 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 490 5 1 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCC(Nc4ccccn4)CC3)CC2)ncc1Cl nan
CHEMBL3692761 131074 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 490 5 1 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCC(Nc4ccccn4)CC3)CC2)ncc1Cl nan
44464620 74436 1 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031273 74436 1 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 449 7 3 6 3.9 COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
89736335 131045 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 6 1 5 3.2 COCCC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692732 131045 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 6 1 5 3.2 COCCC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
67508981 131057 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 0 5 3.4 CCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692744 131057 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 0 5 3.4 CCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
6404568 187240 10 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 187240 10 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
46890990 7215 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1086048 7215 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
89736149 131652 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(CS(N)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696776 131652 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(CS(N)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
67508475 131685 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 1 6 2.5 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696809 131685 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 1 6 2.5 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CC(C)(C)O)CC2)ncc1Cl nan
69044619 131661 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 1 5 3.5 Cc1cnc(-c2cc(N3CCC(NS(=O)(=O)C4CC4)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696785 131661 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 1 5 3.5 Cc1cnc(-c2cc(N3CCC(NS(=O)(=O)C4CC4)CC3)ncc2Cl)c(C)c1 nan
89736236 131655 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 1 5 3.3 CCS(=O)(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696779 131655 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 1 5 3.3 CCS(=O)(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
56967595 131674 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 0 6 1.8 Cc1cnc(-c2ccnc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)c2)c(C)c1 nan
CHEMBL3696798 131674 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 0 6 1.8 Cc1cnc(-c2ccnc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)c2)c(C)c1 nan
46891197 6624 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083605 6624 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 426 3 0 4 4.8 C[C@H]1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
9892231 179044 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474281 179044 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56668414 64582 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822449 64582 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56662174 64749 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 430 4 0 7 4.7 COc1ccccc1OC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823821 64749 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 430 4 0 7 4.7 COc1ccccc1OC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
46891106 6420 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccccn3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1082713 6420 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccccn3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
137521201 169289 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4440172 169289 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
67515004 131031 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.3 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1 nan
CHEMBL3692718 131031 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.3 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1 nan
67509229 131040 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 3 0 5 2.2 Cc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692727 131040 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 3 0 5 2.2 Cc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
69044577 131664 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 5 2 5 2.3 O=C(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696788 131664 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 5 2 5 2.3 O=C(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56672402 64739 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3cnc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823612 64739 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3cnc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44628287 64761 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cnccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823836 64761 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cnccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56659676 63790 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808282 63790 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 442 3 1 3 3.5 O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56663078 63832 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
CHEMBL1808449 63832 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 482 4 1 5 3.2 COC(=O)c1cccc(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1Cl 10.1016/j.bmcl.2011.06.024
44395101 127015 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 480 8 2 5 5.5 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL366255 127015 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 480 8 2 5 5.5 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
56675801 64780 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823861 64780 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
71460279 80407 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
CHEMBL2152355 80407 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
71460282 80415 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 484 5 1 4 5.1 C[C@H]1[C@@H](c2ccccc2)OC(=O)CCCCC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
CHEMBL2152365 80415 0 None - 0 Mouse 5.0 pIC50 = 5.0 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 484 5 1 4 5.1 C[C@H]1[C@@H](c2ccccc2)OC(=O)CCCCC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
67509168 131624 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.6 CC(C)(O)CC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696749 131624 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.6 CC(C)(O)CC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
25066518 187432 1 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 187432 1 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186429 187321 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 187321 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25065681 192075 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 192075 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736113 131620 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 4 2 6 2.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC(O)C3CO)CC2)ncc1Cl nan
CHEMBL3696745 131620 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 4 2 6 2.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC(O)C3CO)CC2)ncc1Cl nan
69047965 131634 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 2 0 4 3.1 CC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696759 131634 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 2 0 4 3.1 CC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
89736114 131668 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 3 0 5 3.4 Cc1cnc(-c2cc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696792 131668 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 3 0 5 3.4 Cc1cnc(-c2cc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
44591292 189077 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
CHEMBL515245 189077 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
25211677 179574 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474892 179574 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56683158 64069 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813105 64069 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56683158 64069 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813105 64069 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56663265 63694 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807222 63694 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1cccnc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
70692760 76138 1 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059870 76138 1 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 426 6 1 5 5.2 Cc1ccc(-c2c(C)nn(C)c2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
68039838 131689 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 423 4 0 6 2.5 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4C[C@H](C)O[C@H](C)C4)CC3)c2)c(C)c1 nan
CHEMBL3696813 131689 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 423 4 0 6 2.5 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4C[C@H](C)O[C@H](C)C4)CC3)c2)c(C)c1 nan
89736532 131676 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 1 5 2.3 Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1 nan
CHEMBL3696800 131676 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 1 5 2.3 Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1 nan
69044585 131632 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 393 4 0 5 3.7 Cc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696757 131632 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 393 4 0 5 3.7 Cc1cnc(-c2cc(N3CCC(CS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
10951208 34392 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL142972 34392 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
24798071 178537 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL471881 178537 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
24797888 179251 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474508 179251 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56666261 64067 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813103 64067 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
45270944 193581 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1 10.1016/j.bmcl.2009.05.112
CHEMBL551065 193581 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1 10.1016/j.bmcl.2009.05.112
50990924 54671 37 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 476 5 2 6 4.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL1615189 54671 37 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 476 5 2 6 4.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
67509495 131087 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 464 4 2 7 1.6 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
CHEMBL3692773 131087 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 464 4 2 7 1.6 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
10328 1259 58 None - 1 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
442972 1259 58 None - 1 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
CHEMBL254129 1259 58 None - 1 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
56673182 64077 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813112 64077 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
44628450 64768 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823844 64768 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
45271790 194218 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 383 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(Cl)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL559001 194218 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 383 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(Cl)cc2)c1 10.1016/j.bmcl.2009.05.112
45270098 195661 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 6 1 3 4.0 CCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL568916 195661 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 325 6 1 3 4.0 CCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
90656297 110533 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 466 3 1 7 3.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCC(O)CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262637 110533 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 466 3 1 7 3.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCC(O)CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
147359459 177285 2 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 503 5 1 5 4.7 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4644288 177285 2 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 503 5 1 5 4.7 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
25065893 192347 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 192347 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862238 14839 13 None - 2 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
CHEMBL1209158 14839 13 None - 2 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
89736100 131647 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 2.6 Cc1cnc(-c2cc(N3CCN(CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696771 131647 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 2.6 Cc1cnc(-c2cc(N3CCN(CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
18526613 187241 4 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 187241 4 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
89736420 131060 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(OCC(=O)NC(C)(C)C)CC2)ncc1Cl nan
CHEMBL3692747 131060 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(OCC(=O)NC(C)(C)C)CC2)ncc1Cl nan
49862197 14827 11 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209099 14827 11 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 362 5 0 5 3.5 COc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
67509172 131062 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 3 0 4 3.4 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)C)CC2)ncc1Cl nan
CHEMBL3692749 131062 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 3 0 4 3.4 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)C)CC2)ncc1Cl nan
53387030 64601 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822468 64601 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
53387030 64601 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822468 64601 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
53361076 64079 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813114 64079 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
53387030 64601 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1822468 64601 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
53363477 63703 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807231 63703 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
6405276 6514 11 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 384 3 0 5 3.9 O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1083103 6514 11 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 384 3 0 5 3.9 O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
46890935 7274 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1086284 7274 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
24776445 3934 111 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
4227 3934 111 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
6975 3934 111 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
CHEMBL473417 3934 111 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
DB08828 3934 111 None - 1 Human 7.9 pIC50 = 7.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115354
44591347 179066 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474302 179066 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56676768 63837 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808454 63837 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 542 4 1 4 4.9 O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45270116 193470 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550190 193470 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1 10.1016/j.bmcl.2009.05.112
45267515 194453 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561069 194453 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
44628620 64759 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 450 3 1 6 5.2 O=C(Nc1cccc2cccnc12)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823834 64759 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 450 3 1 6 5.2 O=C(Nc1cccc2cccnc12)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
45271789 193706 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 382 7 0 3 4.8 CCCN(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL551932 193706 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 382 7 0 3 4.8 CCCN(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
90299621 110191 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 3.4 CCNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3259848 110191 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 3.4 CCNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
56672547 64776 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823857 64776 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
56668540 64561 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822298 64561 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
89736288 131059 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 7 0 5 4.0 CCN(CC)C(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692746 131059 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 416 7 0 5 4.0 CCN(CC)C(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
69046662 131626 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 0 6 2.5 CS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696751 131626 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 0 6 2.5 CS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
25066520 192009 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 192009 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
156016449 177099 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 485 5 1 5 4.6 CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4641704 177099 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 485 5 1 5 4.6 CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
25066520 192009 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 192009 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736184 131621 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3c[nH]cn3)CC2)ncc1Cl nan
CHEMBL3696746 131621 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3c[nH]cn3)CC2)ncc1Cl nan
127048734 140295 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 505 3 0 6 4.9 CN1CCN(C(=O)c2cc3c(s2)CCN(c2ccc(Cl)c(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
CHEMBL3819191 140295 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 505 3 0 6 4.9 CN1CCN(C(=O)c2cc3c(s2)CCN(c2ccc(Cl)c(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
44186378 191861 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 191861 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508182 131081 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl nan
CHEMBL3692768 131081 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl nan
137644724 157938 0 None - 0 Mouse 4.9 pIC50 = 4.9 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
CHEMBL4090942 157938 0 None - 0 Mouse 4.9 pIC50 = 4.9 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
89736328 131617 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CCCCO3)CC2)ncc1Cl nan
CHEMBL3696742 131617 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 1 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CCCCO3)CC2)ncc1Cl nan
44186185 187426 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 187426 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
44591325 178797 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473896 178797 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
24797802 189012 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 490 6 2 3 6.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccco2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL514764 189012 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 490 6 2 3 6.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccco2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
44186312 187209 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 187209 0 None - 0 Mouse 7.9 pIC50 = 7.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
68039900 131656 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 6 2.9 Cc1cnc(-c2cc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696780 131656 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 6 2.9 Cc1cnc(-c2cc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
67508121 131690 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 395 4 0 6 1.7 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1 nan
CHEMBL3696814 131690 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 395 4 0 6 1.7 Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1 nan
155567305 175415 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4588930 175415 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
44629071 64581 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822448 64581 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56683603 63698 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807226 63698 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
137521126 174240 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4562342 174240 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
56682551 64752 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 443 4 0 6 4.7 COc1ccccc1N(C)C(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823827 64752 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 443 4 0 6 4.7 COc1ccccc1N(C)C(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56663266 63705 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807233 63705 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 452 4 1 2 4.9 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)CC2C1 10.1016/j.bmcl.2011.06.024
45270956 193690 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 391 9 1 4 5.1 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(C)=O)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL551873 193690 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 391 9 1 4 5.1 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(C)=O)cc2)c1 10.1016/j.bmcl.2009.05.112
56658170 64562 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822299 64562 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
155567305 175415 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4588930 175415 0 None - 0 Mouse 6.9 pIC50 = 6.9 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 488 7 2 9 4.2 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
44591292 189077 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
CHEMBL515245 189077 0 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 419 6 2 3 5.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccccc1 10.1016/j.bmcl.2008.11.096
44186183 187485 1 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497820 187485 1 None - 0 Mouse 5.9 pIC50 = 5.9 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
68039817 131084 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 492 4 0 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCc4c(c(C(C)C)nn4C)C3)CC2)ncc1Cl nan
CHEMBL3692770 131084 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 492 4 0 6 4.8 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCc4c(c(C(C)C)nn4C)C3)CC2)ncc1Cl nan
25065064 187207 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 187207 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
163215596 190860 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 612 8 3 11 4.8 Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)cc1 10.1016/j.bmc.2022.117051
CHEMBL5193213 190860 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 612 8 3 11 4.8 Cc1cnc(NC2CCOCC2)nc1Oc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c(C)c3C)CC2)cc1 10.1016/j.bmc.2022.117051
56675308 64596 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822463 64596 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
56678644 64598 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822465 64598 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 8 2.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56662793 64073 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813109 64073 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56669676 64070 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813106 64070 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186313 187403 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 187403 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
46891104 6345 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1082387 6345 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46891044 6663 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083738 6663 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
69046981 131660 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 2 6 1.7 O=S(=O)(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696784 131660 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 2 6 1.7 O=S(=O)(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
45273586 194051 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 403 8 1 3 5.7 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1 10.1016/j.bmcl.2009.05.112
CHEMBL557114 194051 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 403 8 1 3 5.7 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1 10.1016/j.bmcl.2009.05.112
122185881 122248 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 454 5 2 5 6.5 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
CHEMBL3604623 122248 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 454 5 2 5 6.5 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
122185882 122249 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 434 6 2 5 6.1 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
CHEMBL3604624 122249 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 434 6 2 5 6.1 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
44628288 64760 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cccnc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823835 64760 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1cccnc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675926 64762 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 3 1 7 4.3 Cc1noc(C)c1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823838 64762 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 418 3 1 7 4.3 Cc1noc(C)c1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44628452 64767 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823843 64767 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
10356 3185 89 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopyInhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1038/nchembio753
5284329 3185 89 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopyInhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1038/nchembio753
CHEMBL1221984 3185 89 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopyInhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy
ChEMBL 520 6 1 8 6.9 C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2 10.1038/nchembio753
10328 1259 58 None - 1 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
442972 1259 58 None - 1 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
CHEMBL254129 1259 58 None - 1 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
90656298 110534 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 479 3 1 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(C)NC(C)C5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262638 110534 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 479 3 1 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(C)NC(C)C5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56658575 64779 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823860 64779 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56662002 64726 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2noc(-c3ccc4ccccc4n3)n2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823581 64726 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2noc(-c3ccc4ccccc4n3)n2)CC1 10.1016/j.bmcl.2011.07.031
71460278 80406 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
CHEMBL2152354 80406 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.5 C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1 10.1021/ml300172p
71460280 80408 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 418 4 1 4 3.2 O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@@H]2CCCN2C1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152356 80408 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 418 4 1 4 3.2 O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@@H]2CCCN2C1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44186184 187510 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 187510 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25067132 187170 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 187170 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155521964 170042 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 370 3 0 2 3.7 C[C@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4450803 170042 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 370 3 0 2 3.7 C[C@H]1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
69046988 131091 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 1 7 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl nan
CHEMBL3692777 131091 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 1 7 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4cccnc4n3C)CC2)ncc1Cl nan
163215599 191556 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 682 8 3 11 5.8 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5203874 191556 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 682 8 3 11 5.8 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
44186526 187396 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
CHEMBL497210 187396 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
134157894 153686 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 504 6 1 5 5.9 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c2nc(CN3CCOCC3)ccc21 10.1021/acs.jmedchem.6b01247
CHEMBL3986017 153686 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 504 6 1 5 5.9 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c2nc(CN3CCOCC3)ccc21 10.1021/acs.jmedchem.6b01247
67508389 131082 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl nan
CHEMBL3692769 131082 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl nan
56681961 64580 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822447 64580 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56679830 64071 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813107 64071 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
24776445 3934 111 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
4227 3934 111 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
6975 3934 111 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
CHEMBL473417 3934 111 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
DB08828 3934 111 None - 1 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2015.06.049
89736478 131667 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 5 1 5 2.8 O=S(=O)(NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1)C1CC1 nan
CHEMBL3696791 131667 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 392 5 1 5 2.8 O=S(=O)(NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1)C1CC1 nan
56673643 63699 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807227 63699 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 535 4 1 4 4.8 O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
137521150 174697 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4572598 174697 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
89735918 131048 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 304 2 1 5 2.5 Cc1cccnc1-c1nc(N2CCC(O)CC2)ncc1Cl nan
CHEMBL3692735 131048 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 304 2 1 5 2.5 Cc1cccnc1-c1nc(N2CCC(O)CC2)ncc1Cl nan
56673182 64077 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813112 64077 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
56682553 64765 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823841 64765 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675800 64778 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823859 64778 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
89735840 131613 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 5 4.6 COc1ccccc1CNC(=O)C1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3696738 131613 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 6 1 5 4.6 COc1ccccc1CNC(=O)C1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
67508976 131085 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CC[C@@H](O)C3)CC2)ncc1Cl nan
CHEMBL3692771 131085 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CC[C@@H](O)C3)CC2)ncc1Cl nan
25067132 187170 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 187170 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736341 131056 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 359 5 0 4 4.7 Cc1cccnc1-c1cc(N2CCC(OCC(C)C)CC2)ncc1Cl nan
CHEMBL3692743 131056 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 359 5 0 4 4.7 Cc1cccnc1-c1cc(N2CCC(OCC(C)C)CC2)ncc1Cl nan
25065069 192602 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523431 192602 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186431 187398 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL497217 187398 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44591366 178514 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 494 6 2 3 6.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCC2CCOC2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL471673 178514 0 None - 0 Mouse 4.8 pIC50 = 4.8 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 494 6 2 3 6.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCC2CCOC2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
49862153 14817 5 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209047 14817 5 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
56675308 64596 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822463 64596 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 493 5 1 8 3.2 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCOCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
44186482 187402 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 187402 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
44186480 187428 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 187428 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44186378 191861 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 191861 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736072 131651 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
CHEMBL3696775 131651 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
46890991 6958 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1084836 6958 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 462 3 0 4 5.6 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
163215600 190967 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 648 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5194809 190967 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 648 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Sc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
89736282 131068 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 4 1 6 1.4 Cc1cccnc1-c1ccnc(N2CCC(NS(C)(=O)=O)CC2)n1 nan
CHEMBL3692755 131068 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 4 1 6 1.4 Cc1cccnc1-c1ccnc(N2CCC(NS(C)(=O)=O)CC2)n1 nan
163215591 190146 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 628 8 3 12 5.0 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(Nc5cnn(C)c5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5182673 190146 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 628 8 3 12 5.0 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(Nc5cnn(C)c5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
86691911 131672 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 468 6 1 6 3.1 Cc1cnc(-c2c(Cl)cnc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)c2F)c(C)c1 nan
CHEMBL3696796 131672 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 468 6 1 6 3.1 Cc1cnc(-c2c(Cl)cnc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)c2F)c(C)c1 nan
24797888 179251 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474508 179251 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2scnc2C)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
44629236 64734 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823591 64734 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
122185874 122242 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604616 122242 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(F)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
56679829 64064 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813100 64064 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
56679239 64773 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823854 64773 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56680083 63845 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808462 63845 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 420 4 1 4 2.7 COc1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56675306 64589 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822456 64589 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
67508758 131051 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 3 0 6 1.6 Cc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692738 131051 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 3 0 6 1.6 Cc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl nan
25065064 187207 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 187207 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186485 187394 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccoc34)CC2)nc1 10.1021/jm900309j
CHEMBL497209 187394 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccoc34)CC2)nc1 10.1021/jm900309j
155541363 172420 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3ccccn3)s2)CC1 10.1016/j.ejmech.2019.03.057
CHEMBL4517976 172420 0 None - 0 Mouse 7.8 pIC50 = 7.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3ccccn3)s2)CC1 10.1016/j.ejmech.2019.03.057
155547338 173007 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4532846 173007 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
46181999 64075 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813110 64075 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56662793 64073 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813109 64073 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 456 4 1 5 2.9 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
127048732 140242 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 492 3 0 6 5.0 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818447 140242 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 492 3 0 6 5.0 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
67509542 131026 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692713 131026 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
67508194 131030 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.6 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1 nan
CHEMBL3692717 131030 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 434 4 1 5 3.6 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1 nan
155536472 171592 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4473275 171592 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56678642 64583 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822450 64583 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56669674 64065 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813101 64065 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56658549 64724 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823579 64724 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44186181 187459 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 187459 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
134143997 149665 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 484 3 1 6 5.3 C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)OC3O[C@@]4(C)CC[C@@H]1[C@]32OO4 10.1021/acs.jmedchem.6b01247
CHEMBL3951963 149665 0 None - 0 Mouse 6.8 pIC50 = 6.8 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 484 3 1 6 5.3 C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)OC3O[C@@]4(C)CC[C@@H]1[C@]32OO4 10.1021/acs.jmedchem.6b01247
56668936 64784 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823865 64784 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
155537273 171696 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 508 7 2 9 4.2 Cc1ccc(NCc2c(-c3nnc(N4CCC(C(=O)NC5CCCCC5C)CC4)s3)cnn2C)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4474558 171696 0 None - 0 Mouse 5.8 pIC50 = 5.8 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 508 7 2 9 4.2 Cc1ccc(NCc2c(-c3nnc(N4CCC(C(=O)NC5CCCCC5C)CC4)s3)cnn2C)nc1 10.1016/j.ejmech.2019.03.057
44628528 64771 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 463 4 1 6 5.4 COc1ccc2nc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)ccc2c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823850 64771 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 463 4 1 6 5.4 COc1ccc2nc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)ccc2c1 10.1016/j.bmcl.2011.07.031
56679122 64777 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823858 64777 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56676957 63693 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807221 63693 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 457 4 1 5 3.4 O=C(Nc1ccccc1-c1cnco1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45267540 194319 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 449 9 1 5 5.8 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(=O)OC(C)(C)C)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL559874 194319 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 449 9 1 5 5.8 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(=O)OC(C)(C)C)cc2)c1 10.1016/j.bmcl.2009.05.112
90286184 110548 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 450 3 1 6 4.1 Cc1cnc(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262652 110548 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 450 3 1 6 4.1 Cc1cnc(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
45272668 194075 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL557448 194075 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2)c1 10.1016/j.bmcl.2009.05.112
134139096 147330 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 496 4 1 5 6.1 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 10.1021/acs.jmedchem.6b01247
CHEMBL3933195 147330 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 496 4 1 5 6.1 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 10.1021/acs.jmedchem.6b01247
89736551 131076 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 2 5 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC2)ncc1Cl nan
CHEMBL3692763 131076 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 2 5 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC2)ncc1Cl nan
25065893 192347 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 192347 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
8440567 14825 3 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
CHEMBL1209095 14825 3 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 384 4 0 4 4.3 Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2010.06.033
44186314 187559 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 187559 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862152 14816 11 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 376 5 0 5 3.8 COc1ccccc1N1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 10.1016/j.bmcl.2010.06.033
CHEMBL1209046 14816 11 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 376 5 0 5 3.8 COc1ccccc1N1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 10.1016/j.bmcl.2010.06.033
89736183 123939 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 4 1 7 1.2 Cc1cccnc1-c1cc(N2CC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)C2)ncc1Cl nan
CHEMBL3639916 123939 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 450 4 1 7 1.2 Cc1cccnc1-c1cc(N2CC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)C2)ncc1Cl nan
56671928 64597 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822464 64597 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
56676511 64078 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813113 64078 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
56673642 63697 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807225 63697 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
127039132 136301 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccccc2F)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
CHEMBL3741651 136301 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccccc2F)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
6407374 6445 10 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1082791 6445 10 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 394 3 0 4 4.3 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
89735924 131649 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 401 5 1 5 3.1 Cc1cnc(-c2cc(N3CCC(NC(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696773 131649 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 401 5 1 5 3.1 Cc1cnc(-c2cc(N3CCC(NC(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
67508115 131638 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 4 1 5 3.2 Cc1cnc(-c2cc(N3CCN(C(=O)CC(C)(C)O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696762 131638 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 4 1 5 3.2 Cc1cnc(-c2cc(N3CCN(C(=O)CC(C)(C)O)CC3)ncc2Cl)c(C)c1 nan
24797980 178798 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473897 178798 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
122185883 122250 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 468 6 2 5 6.7 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
CHEMBL3604625 122250 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 468 6 2 5 6.7 O=C(Nc1cc(-c2ccc3nc(NCC4CC4)sc3c2)cnc1Cl)c1cccc(Cl)c1 10.1016/j.bmcl.2015.06.049
137521167 169770 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4447164 169770 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccc(O)c5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
137521038 171515 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4472335 171515 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
163215590 191220 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 666 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5198527 191220 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 666 8 3 11 5.5 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4C(F)(F)F)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
56662005 64737 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823603 64737 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
56669087 64770 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823846 64770 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
10328 1259 58 None - 1 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
442972 1259 58 None - 1 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
CHEMBL254129 1259 58 None - 1 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/ml300172p
156019808 177442 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 459 6 1 6 3.7 CC(=O)c1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
CHEMBL4646599 177442 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 459 6 1 6 3.7 CC(=O)c1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
57539065 75175 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 350 3 3 4 2.9 CN1CC[C@@H](NC(=O)Nc2cccnc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043439 75175 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 350 3 3 4 2.9 CN1CC[C@@H](NC(=O)Nc2cccnc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
127048733 140312 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 506 3 1 6 5.1 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819380 140312 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 506 3 1 6 5.1 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
25065894 192581 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 192581 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89735969 131053 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 3 1 4 3.2 CC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692740 131053 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 344 3 1 4 3.2 CC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
46871827 6957 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084835 6957 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46891245 6922 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 448 4 0 4 5.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C3CC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084730 6922 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 448 4 0 4 5.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C3CC3)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
25253556 76132 13 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
CHEMBL2059865 76132 13 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayInhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
ChEMBL 384 6 2 4 4.6 Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmc.2019.115227
70688555 76130 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059863 76130 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67374621 76131 2 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059864 76131 2 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1 10.1016/j.bmcl.2012.04.104
10334 424 18 None - 0 Mouse 8.6 pIC50 = 8.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 424 18 None - 0 Mouse 8.6 pIC50 = 8.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 424 18 None - 0 Mouse 8.6 pIC50 = 8.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
46891248 6925 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084734 6925 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 438 4 1 5 4.1 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
25255940 6928 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084738 6928 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
44186430 187322 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 187322 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25167313 75173 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 383 3 3 3 4.2 CN1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043436 75173 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 383 3 3 3 4.2 CN1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
25065678 187167 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 187167 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
49862154 14818 12 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209048 14818 12 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
46891046 6666 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
CHEMBL1083740 6666 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 424 4 0 5 4.3 COc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
24776445 3934 111 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
4227 3934 111 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
6975 3934 111 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
CHEMBL473417 3934 111 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
DB08828 3934 111 None - 1 Human 7.7 pIC50 = 7.7 Binding
Inhibition of smoothened (unknown origin)-mediated Shh signalingInhibition of smoothened (unknown origin)-mediated Shh signaling
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.01.006
46891105 6348 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1082396 6348 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
89736224 131675 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 0 6 2.0 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2F)c(C)c1 nan
CHEMBL3696799 131675 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 0 6 2.0 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2F)c(C)c1 nan
89736258 131644 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.3 Cc1cc(Cl)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696768 131644 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.3 Cc1cc(Cl)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
67508468 131034 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
CHEMBL3692721 131034 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
89736220 131682 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 6 2 6 2.1 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CCO)CC2)ncc1Cl nan
CHEMBL3696806 131682 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 6 2 6 2.1 Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CCO)CC2)ncc1Cl nan
89736425 131643 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696767 131643 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
56668414 64582 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822449 64582 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 506 5 1 6 4.9 O=C(NCC1(N2CCC(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45268408 194499 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2C)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561330 194499 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2C)c1 10.1016/j.bmcl.2009.05.112
45270943 194947 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 349 8 1 3 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL564222 194947 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 349 8 1 3 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1 10.1016/j.bmcl.2009.05.112
90656301 110541 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccnc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262645 110541 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccnc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56658170 64562 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822299 64562 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 520 5 2 7 5.0 CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56659601 63795 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808288 63795 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 454 5 1 3 4.1 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(CCc3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
70680398 80425 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 80425 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
49862153 14817 5 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209047 14817 5 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 394 5 0 5 4.0 COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1 10.1016/j.bmcl.2010.06.033
44480300 80411 0 None - 0 Mouse 4.7 pIC50 = 4.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152360 80411 0 None - 0 Mouse 4.7 pIC50 = 4.7 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
89751014 131055 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 375 7 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(COCCCO)CC2)ncc1Cl nan
CHEMBL3692742 131055 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 375 7 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(COCCCO)CC2)ncc1Cl nan
56671928 64597 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822464 64597 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 491 5 1 7 4.3 Cn1c(-c2noc(C3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
56676509 64060 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813096 64060 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56669677 64072 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813108 64072 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186376 190776 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 190776 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
70682196 76136 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059869 76136 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 412 6 1 5 4.9 Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70694800 76142 1 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059875 76142 1 None - 0 Human 7.7 pIC50 = 7.7 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 395 6 1 4 5.3 Cc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
67508124 131065 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 4 1 5 2.9 Cc1cccnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3692752 131065 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 4 1 5 2.9 Cc1cccnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
44591346 173716 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL454984 173716 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56671926 64584 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822451 64584 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
56664980 64586 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822453 64586 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56663080 63842 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808459 63842 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 432 4 1 3 3.8 CC(C)c1ccccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
122185880 122247 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 5 2 5 5.8 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
CHEMBL3604622 122247 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 420 5 2 5 5.8 O=C(Nc1cc(-c2ccc3nc(NC4CC4)sc3c2)cnc1Cl)c1ccccc1 10.1016/j.bmcl.2015.06.049
25067132 187170 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 187170 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186482 187402 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 187402 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
137521019 171616 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4473575 171616 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 581 7 1 8 4.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(-n5cn[nH]c5=O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
56682402 64732 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 449 3 2 6 4.5 O=C(Nc1ccccc1Cl)N1CCC(O)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823589 64732 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 449 3 2 6 4.5 O=C(Nc1ccccc1Cl)N1CCC(O)(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
134151006 151578 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 419 4 1 3 6.4 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3ccccn3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3967752 151578 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 419 4 1 3 6.4 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3ccccn3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
44186185 187426 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 187426 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
46891103 6344 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 419 3 0 5 4.1 N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
CHEMBL1082386 6344 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 419 3 0 5 4.1 N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 10.1016/j.bmcl.2010.04.110
67509813 131046 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 0 5 2.4 COCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692733 131046 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 4 0 5 2.4 COCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
127052484 140197 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 635 4 0 6 7.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3817897 140197 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 635 4 0 6 7.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
46891162 6809 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3cccnc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1084241 6809 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3cccnc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
49862237 14838 0 None - 3 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209157 14838 0 None - 3 Human 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
127052181 140331 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 7 4.2 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819639 140331 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 7 4.2 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
44186181 187459 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 187459 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
89735976 131086 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692772 131086 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCS(C)(=O)=O)CC2)ncc1Cl nan
56679830 64071 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813107 64071 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 492 4 1 5 3.7 N#Cc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c1 10.1016/j.bmcl.2011.06.023
53361076 64079 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813114 64079 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 470 4 1 5 3.3 C[C@@]12CN(C(=O)Nc3ccnn3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
44186482 187402 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 187402 0 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
2951813 6819 12 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of mouse SMO expressed in NIH-3T3 cellsInhibition of mouse SMO expressed in NIH-3T3 cells
ChEMBL 400 3 0 5 4.3 O=C(c1cccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1084301 6819 12 None - 0 Mouse 7.7 pIC50 = 7.7 Binding
Inhibition of mouse SMO expressed in NIH-3T3 cellsInhibition of mouse SMO expressed in NIH-3T3 cells
ChEMBL 400 3 0 5 4.3 O=C(c1cccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
89736259 131650 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 4 1 5 2.0 Cc1ccc(-c2cccc(N3CCC(NS(C)(=O)=O)CC3)n2)nc1 nan
CHEMBL3696774 131650 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 4 1 5 2.0 Cc1ccc(-c2cccc(N3CCC(NS(C)(=O)=O)CC3)n2)nc1 nan
68039818 131680 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1ccc(-c2nc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
CHEMBL3696804 131680 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1ccc(-c2nc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ccc2Cl)nc1 nan
155543109 172708 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccncc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4525451 172708 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccncc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56682550 64751 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1cccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823825 64751 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1cccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
56659805 63692 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807220 63692 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 472 4 1 4 4.5 O=C(Nc1ccccc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676826 63787 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808279 63787 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
134150938 151645 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 450 5 1 5 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc(C4CC4)no3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3968327 151645 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 450 5 1 5 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc(C4CC4)no3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
56665497 64735 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 428 4 1 5 5.3 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823600 64735 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 428 4 1 5 5.3 COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 10.1016/j.bmcl.2011.07.031
44628222 64740 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823614 64740 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.7 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
137521159 170374 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccc5O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4455409 170374 0 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccc5O)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
44186375 184684 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 184684 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
6404568 187240 10 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 187240 10 None - 0 Mouse 5.7 pIC50 = 5.7 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
25065893 192347 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 192347 0 None - 0 Mouse 6.7 pIC50 = 6.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25065069 192602 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523431 192602 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56661679 64565 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822302 64565 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
25065678 187167 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 187167 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
24776445 3934 111 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
4227 3934 111 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
6975 3934 111 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
CHEMBL473417 3934 111 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
DB08828 3934 111 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmcl.2014.03.079
89736145 131646 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 1 6 1.9 Cc1cnc(-c2cc(N3CCN(S(=O)(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696770 131646 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 1 6 1.9 Cc1cnc(-c2cc(N3CCN(S(=O)(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
56658169 64560 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822297 64560 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56676510 64061 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813097 64061 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186185 187426 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 187426 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
56672547 64776 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823857 64776 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 448 3 1 6 3.2 CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
71458430 80422 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 420 5 2 4 3.4 CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)N1 10.1021/ml300172p
CHEMBL2152378 80422 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 420 5 2 4 3.4 CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)N1 10.1021/ml300172p
67508832 131080 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 488 6 0 6 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CC(S(=O)(=O)CC4CC4)C3)CC2)ncc1Cl nan
CHEMBL3692767 131080 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 488 6 0 6 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CC(S(=O)(=O)CC4CC4)C3)CC2)ncc1Cl nan
46891300 7240 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 6 3.3 C[C@H]1CN(c2nnc(N3CC=CC=N3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1086141 7240 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 412 3 0 6 3.3 C[C@H]1CN(c2nnc(N3CC=CC=N3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
127053109 140263 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 8 4.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818767 140263 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 8 4.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
67509832 131043 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 3 1 5 1.7 Cc1cccnc1-c1cc(N2CCN(C(=O)CO)CC2)ncc1Cl nan
CHEMBL3692730 131043 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 3 1 5 1.7 Cc1cccnc1-c1cc(N2CCN(C(=O)CO)CC2)ncc1Cl nan
132606868 155554 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
CHEMBL4063037 155554 0 None - 0 Mouse 4.6 pIC50 = 4.6 Binding
Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assayInhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
56964691 74437 8 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031277 74437 8 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 539 8 3 6 5.9 COc1cc(C(=O)NC(=O)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
89735961 131052 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692739 131052 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
24797980 178798 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473897 178798 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56668541 64566 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822303 64566 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
134142019 146205 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 512 4 1 6 6.0 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 10.1021/acs.jmedchem.6b01247
CHEMBL3924243 146205 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 512 4 1 6 6.0 C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 10.1021/acs.jmedchem.6b01247
134157506 153046 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 4 1 4 7.1 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3980443 153046 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 4 1 4 7.1 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67508087 131042 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 2 0 5 3.0 COC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692729 131042 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 346 2 0 5 3.0 COC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
44186480 187428 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 187428 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44186314 187559 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 187559 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186312 187209 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 187209 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508825 131054 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 2 0 6 2.4 COC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
CHEMBL3692741 131054 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 347 2 0 6 2.4 COC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
9869236 164895 1 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL423915 164895 1 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
44186430 187322 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 187322 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186482 187402 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497238 187402 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
10330 3410 48 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
6878030 3410 48 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL515916 3410 48 None - 1 Human 7.6 pIC50 = 7.6 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
56682418 64783 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823864 64783 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
67508229 131061 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 4 3.8 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl nan
CHEMBL3692748 131061 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 4 3.8 Cc1cccnc1-c1cc(N2CCN(C(=O)C(C)(C)C)CC2)ncc1Cl nan
89736213 131092 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 7 1 6 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CN(CC4CC4)C(=O)CO3)CC2)ncc1Cl nan
CHEMBL3692778 131092 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 7 1 6 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3CN(CC4CC4)C(=O)CO3)CC2)ncc1Cl nan
89736242 131095 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(CO)CCCC3)CC2)ncc1Cl nan
CHEMBL3692780 131095 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 5 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(CO)CCCC3)CC2)ncc1Cl nan
56673517 63784 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808276 63784 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 396 3 1 3 2.5 O=C(NC1CCCCC1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56675927 64772 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 421 3 2 6 3.5 O=C(NC1CCC(O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823853 64772 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 421 3 2 6 3.5 O=C(NC1CCC(O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
25066322 187484 2 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497819 187484 2 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736542 131058 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 7 1 5 3.6 CCCNC(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692745 131058 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 7 1 5 3.6 CCCNC(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
25065678 187167 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 187167 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44186185 187426 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
CHEMBL497412 187426 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 0 6 4.6 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4occc34)CC2)nc1 10.1021/jm900309j
18526613 187241 4 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 187241 4 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
89736048 131625 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 NS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696750 131625 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 NS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56967537 131657 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 7 1 6 2.3 COCCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696781 131657 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 7 1 6 2.3 COCCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
137521208 174251 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4562519 174251 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
56658051 64588 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822455 64588 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
127051279 140214 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 465 4 1 6 5.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818148 140214 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 465 4 1 6 5.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
134146294 148348 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 506 5 1 7 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3941556 148348 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 506 5 1 7 6.2 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
44186431 187398 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL497217 187398 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
25065069 192602 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523431 192602 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 3.6 O=C(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
90286574 110530 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 3 0 6 3.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262632 110530 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 3 0 6 3.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
90656300 110540 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccn5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262644 110540 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 1 7 4.3 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccn5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
90656303 110543 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 437 5 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262647 110543 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 437 5 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
134147491 149386 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 5 1 5 5.8 COC(=O)[C@H](C)c1ccc(C)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)nc12 10.1021/acs.jmedchem.6b01247
CHEMBL3949509 149386 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 459 5 1 5 5.8 COC(=O)[C@H](C)c1ccc(C)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)nc12 10.1021/acs.jmedchem.6b01247
25210551 178780 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL473703 178780 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
56675305 64587 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822454 64587 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
90656290 110526 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 396 3 1 6 3.0 CNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262629 110526 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 396 3 1 6 3.0 CNC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
46891346 6867 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 399 3 0 6 3.6 C[C@H]1CN(c2nnc(-c3ncco3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1084495 6867 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 399 3 0 6 3.6 C[C@H]1CN(c2nnc(-c3ncco3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
44591291 178697 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 453 6 2 3 5.9 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473073 178697 0 None - 0 Mouse 5.6 pIC50 = 5.6 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 453 6 2 3 5.9 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 10.1016/j.bmcl.2008.11.096
44186378 191861 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 191861 0 None - 0 Mouse 7.6 pIC50 = 7.6 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
77304813 131090 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCCCC3O)CC2)ncc1Cl nan
CHEMBL3692776 131090 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCCCC3O)CC2)ncc1Cl nan
89736260 131623 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 2 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@H](CO)CC3)CC2)ncc1Cl nan
CHEMBL3696748 131623 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 442 5 2 5 4.0 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@H](CO)CC3)CC2)ncc1Cl nan
155544479 172778 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ncccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4527095 172778 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ncccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
10328 1259 58 None - 1 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
442972 1259 58 None - 1 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
CHEMBL254129 1259 58 None - 1 Human 6.6 pIC50 = 6.6 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmcl.2008.11.096
56682553 64765 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823841 64765 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 405 3 1 5 4.5 O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44629067 64766 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 0 6 4.9 O=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823842 64766 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 0 6 4.9 O=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56670005 63788 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808280 63788 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56676827 63789 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808281 63789 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 4.0 O=C(Nc1c(Cl)cccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56673458 63838 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808455 63838 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 526 3 1 3 5.0 O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
1139102 74420 45 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1039/C5MD00092K
CHEMBL2031084 74420 45 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1039/C5MD00092K
134138280 147240 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 475 4 1 4 7.6 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3932585 147240 0 None - 0 Mouse 6.6 pIC50 = 6.6 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 475 4 1 4 7.6 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4s3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67508422 131618 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 4 1 6 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC4(CCN(C)CC4)C3)CC2)ncc1Cl nan
CHEMBL3696743 131618 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 497 4 1 6 4.1 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC4(CCN(C)CC4)C3)CC2)ncc1Cl nan
156014249 176614 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccccc1Nc1ccccc1C(=O)N1CCC(N(C)C(=O)c2ccc(F)cc2C(F)(F)F)CC1 10.1016/j.bmc.2020.115354
CHEMBL4635021 176614 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccccc1Nc1ccccc1C(=O)N1CCC(N(C)C(=O)c2ccc(F)cc2C(F)(F)F)CC1 10.1016/j.bmc.2020.115354
44186312 187209 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 187209 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44591344 179064 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474301 179064 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
67509383 131645 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 0 6 2.5 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696769 131645 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 6 0 6 2.5 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
89736313 131687 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
CHEMBL3696811 131687 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 398 4 1 5 2.8 Cc1cc(F)cnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ccc1Cl nan
89736002 131677 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 454 6 1 6 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696801 131677 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 454 6 1 6 2.8 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
155541211 172432 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 504 7 2 7 5.4 Cc1ccc(NCc2ccccc2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4518172 172432 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 504 7 2 7 5.4 Cc1ccc(NCc2ccccc2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56675420 64564 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822301 64564 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
56675307 64590 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822457 64590 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
134153810 152036 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 424 4 1 3 6.0 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2CC(=O)CC[C@H]21 10.1021/acs.jmedchem.6b01247
CHEMBL3971787 152036 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 424 4 1 3 6.0 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2CC(=O)CC[C@H]21 10.1021/acs.jmedchem.6b01247
56672546 64774 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823855 64774 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44186431 187398 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL497217 187398 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 464 5 0 8 3.6 COC(=O)c1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
127048730 140205 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 458 3 0 6 4.3 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3817987 140205 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 458 3 0 6 4.3 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
67508735 131612 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC3)CC2)ncc1Cl nan
CHEMBL3696737 131612 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC3)CC2)ncc1Cl nan
25210551 178780 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL473703 178780 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
67508753 131039 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 2 1 5 3.2 Cc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl nan
CHEMBL3692726 131039 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 358 2 1 5 3.2 Cc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl nan
44186183 187485 1 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497820 187485 1 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3ncc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155549835 173316 0 None - 1 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4539839 173316 0 None - 1 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
25226762 14904 0 None - 0 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
CHEMBL1209454 14904 0 None - 0 Mouse 8.5 pIC50 = 8.5 Binding
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assayAntagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
ChEMBL 409 3 0 5 4.0 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 10.1016/j.bmcl.2010.06.006
56675802 64782 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823863 64782 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
46891298 6926 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 433 3 0 5 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084736 6926 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 433 3 0 5 4.5 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46891164 6540 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083284 6540 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 422 3 0 4 5.0 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
46891198 6728 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083914 6728 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 476 3 0 4 5.7 C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
155515124 169362 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441310 169362 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
44591268 179575 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474893 179575 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56682216 64557 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822294 64557 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 490 5 1 7 3.8 O=C(NCC1(N2CCOCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44186480 187428 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 187428 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
67509209 131631 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 0 6 2.8 Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696756 131631 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 0 6 2.8 Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
89736231 131665 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 2 5 3.0 CC(C)(O)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696789 131665 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 2 5 3.0 CC(C)(O)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56681960 64577 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822444 64577 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56671927 64593 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822460 64593 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
1139102 74420 45 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031084 74420 45 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 465 7 3 6 4.1 COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC 10.1021/jm2013369
90299612 110535 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 458 4 1 6 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262639 110535 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 458 4 1 6 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
45269254 195048 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 381 8 0 3 5.3 CCCC(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL564987 195048 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 381 8 0 3 5.3 CCCC(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
137521242 173464 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccc(O)cc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4543531 173464 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 633 8 2 7 6.9 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccc(O)cc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
44186310 187208 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 187208 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
156014827 176948 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 462 6 1 7 3.4 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4639888 176948 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 462 6 1 7 3.4 CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
155559226 174272 0 None - 1 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4562943 174272 0 None - 1 Mouse 7.5 pIC50 = 7.5 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
89735905 131662 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 6 1 6 2.3 CS(=O)(=O)CCC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696786 131662 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 6 1 6 2.3 CS(=O)(=O)CCC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56673457 63836 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808453 63836 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45268404 194436 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 368 7 1 3 4.5 CCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL560932 194436 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 368 7 1 3 4.5 CCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
137521219 170828 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4462158 170828 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 543 7 0 7 5.9 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
127048731 140248 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 476 3 0 5 5.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818511 140248 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 476 3 0 5 5.8 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
44591344 179064 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474301 179064 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 514 6 2 2 7.8 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56668542 64567 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822304 64567 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
46181999 64075 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813110 64075 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 490 4 1 5 3.6 O=C(Nc1ccnn1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
67509452 131028 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ncccc3Cl)c(Cl)cn2)CC1 nan
CHEMBL3692715 131028 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ncccc3Cl)c(Cl)cn2)CC1 nan
67507985 131615 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)ncc1Cl nan
CHEMBL3696740 131615 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)ncc1Cl nan
67509117 131029 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1 nan
CHEMBL3692716 131029 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 400 4 1 5 3.0 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1 nan
56668540 64561 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822298 64561 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 462 5 2 6 3.6 CC(=O)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
44628525 64769 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823845 64769 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 6 5.2 N#Cc1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 10.1016/j.bmcl.2011.07.031
56666699 63704 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
CHEMBL1807232 63704 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 5 1 3 5.8 O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.024
44395035 126307 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 431 7 2 4 5.4 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OC(C)C)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL365472 126307 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 431 7 2 4 5.4 Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OC(C)C)cc1 10.1016/j.bmcl.2012.04.104
127049409 140203 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 471 3 0 6 4.3 CN1CCN(C(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
CHEMBL3817945 140203 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 471 3 0 6 4.3 CN1CCN(C(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)CC1 10.1039/C6MD00020G
134137166 141970 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 524 5 1 4 7.2 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(cnn3-c3ccccc3)C[C@H]21 10.1021/acs.jmedchem.6b01247
CHEMBL3890559 141970 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 524 5 1 4 7.2 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(cnn3-c3ccccc3)C[C@H]21 10.1021/acs.jmedchem.6b01247
25065894 192581 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 192581 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862196 14826 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209098 14826 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
67508061 131670 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696794 131670 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 396 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56675802 64782 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823863 64782 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 409 3 1 7 2.8 Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
67509809 131633 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 1.9 CS(=O)(=O)CCC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696758 131633 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 5 0 6 1.9 CS(=O)(=O)CCC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
89751036 131681 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 406 4 1 5 3.1 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696805 131681 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 406 4 1 5 3.1 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CC(C)(C)O)CC2)ncc1Cl nan
89736245 131614 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCS(=O)(=O)CC3)CC2)ncc1Cl nan
CHEMBL3696739 131614 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 462 4 1 6 3.0 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCS(=O)(=O)CC3)CC2)ncc1Cl nan
56664980 64586 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822453 64586 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 510 6 1 6 5.4 O=C(NCC(c1ccccc1)N1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45273570 194730 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 353 6 1 3 4.6 CCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL562811 194730 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 353 6 1 3 4.6 CCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
49862196 14826 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL1209098 14826 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 400 4 0 4 4.5 Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
25065678 187167 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL495608 187167 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 431 4 0 7 3.7 N#Cc1ccc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44186480 187428 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497437 187428 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
152520884 176475 2 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 499 5 1 3 6.0 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4632598 176475 2 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 499 5 1 3 6.0 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
67508699 131033 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 CS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3692720 131033 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 366 4 1 5 2.3 CS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
44591326 187700 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL500172 187700 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
56661561 64591 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822458 64591 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56682552 64756 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 467 3 1 5 5.7 O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823831 64756 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 467 3 1 5 5.7 O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
45273599 194783 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2OC)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563112 194783 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 380 9 1 5 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2OC)c1 10.1016/j.bmcl.2009.05.112
56672043 64563 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822300 64563 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44628220 64775 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 420 3 1 6 3.3 CN1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823856 64775 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 420 3 1 6 3.3 CN1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 10.1016/j.bmcl.2011.07.031
122185877 122244 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 5 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)Cc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604619 122244 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 5 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)Cc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
9869236 164895 1 None - 0 Human 5.5 pIC50 = 5.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL423915 164895 1 None - 0 Human 5.5 pIC50 = 5.5 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
67509251 131036 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(F)cn3)c(Cl)cn2)CC1 nan
CHEMBL3692723 131036 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2cc(-c3ccc(F)cn3)c(Cl)cn2)CC1 nan
44186376 190776 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 190776 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
56683156 64059 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 64059 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
25167116 75171 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 379 4 3 4 3.5 COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10.1021/ml2002423
CHEMBL2043434 75171 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 379 4 3 4 3.5 COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10.1021/ml2002423
25065894 192581 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 192581 0 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
10334 424 18 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 424 18 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 424 18 None - 0 Mouse 7.5 pIC50 = 7.5 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
89736453 131069 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 4 0 5 3.4 Cc1cccnc1-c1cc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692756 131069 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 379 4 0 5 3.4 Cc1cccnc1-c1cc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl nan
44591346 173716 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL454984 173716 0 None - 0 Mouse 6.5 pIC50 = 6.5 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 551 6 2 3 7.7 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56679238 64757 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 4 1 5 5.8 CC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823832 64757 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 4 1 5 5.8 CC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675801 64780 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823861 64780 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 408 3 1 6 3.8 Cn1c(-c2noc(C3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
90299611 110536 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262640 110536 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccccc5F)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
70680398 80425 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 80425 0 None - 0 Mouse 5.5 pIC50 = 5.5 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44610687 64727 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823584 64727 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
127049057 140302 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 442 3 0 5 5.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819236 140302 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 442 3 0 5 5.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
67508806 131044 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 331 2 0 5 2.2 CC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
CHEMBL3692731 131044 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 331 2 0 5 2.2 CC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 nan
67508915 131639 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 3 0 5 2.5 Cc1cnc(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696763 131639 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 3 0 5 2.5 Cc1cnc(-c2cc(N3CCN(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
44591326 187700 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL500172 187700 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 557 7 3 3 7.1 CC(=O)Nc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
56678643 64595 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822462 64595 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45270102 193746 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCCC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL552208 193746 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCCC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
25065893 192347 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL522241 192347 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 474 4 0 6 4.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
20875737 187365 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497003 187365 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736160 131629 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.6 Cc1cccnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696754 131629 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 6 1 6 2.6 Cc1cccnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
67508875 131037 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 3 0 6 3.7 Cc1cccnc1-c1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncc1Cl nan
CHEMBL3692724 131037 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 3 0 6 3.7 Cc1cccnc1-c1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncc1Cl nan
56681960 64577 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822444 64577 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CN(C)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
155559162 174222 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
CHEMBL4562011 174222 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
56672546 64774 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823855 64774 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 2 6 2.9 O=C(NC1CCNCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
155559162 174222 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
CHEMBL4562011 174222 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 418 5 2 8 2.7 CC(O)c1ccnn1-c1nnc(N2CCC(C(=O)NC3CCCCC3C)CC2)s1 10.1016/j.ejmech.2019.03.057
127048425 140275 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 7 3.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818879 140275 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 535 4 0 7 3.6 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
44186314 187559 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 187559 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186182 187163 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 404 4 0 4 5.5 N#Cc1ccc(C2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1 10.1021/jm900309j
CHEMBL495579 187163 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 404 4 0 4 5.5 N#Cc1ccc(C2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1 10.1021/jm900309j
155532735 171203 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 330 3 0 2 3.9 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4467625 171203 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 330 3 0 2 3.9 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
44186375 184684 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 184684 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508277 131071 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 365 4 0 5 3.1 CS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3692758 131071 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 365 4 0 5 3.1 CS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
89736384 131666 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 5 1 5 2.7 CCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696790 131666 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 5 1 5 2.7 CCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
56664981 64594 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822461 64594 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44610687 64727 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823584 64727 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56683492 63785 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808277 63785 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 398 7 1 3 2.8 CCCCCCNC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
90656302 110542 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 425 4 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC(C)C)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262646 110542 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 425 4 0 7 4.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC(C)C)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
44186184 187510 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 187510 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155555575 173881 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 320 3 0 2 4.1 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 10.1021/acs.jmedchem.9b00283
CHEMBL4553897 173881 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 320 3 0 2 4.1 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 10.1021/acs.jmedchem.9b00283
44186184 187510 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 187510 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
53387030 64601 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1822468 64601 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 442 3 1 6 3.7 O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
89736423 131067 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 6 1 6 2.7 Cc1cccnc1-c1cc(N2CCC(NCCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692754 131067 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 408 6 1 6 2.7 Cc1cccnc1-c1cc(N2CCC(NCCS(C)(=O)=O)CC2)ncc1Cl nan
24776445 3934 111 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
4227 3934 111 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
6975 3934 111 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
CHEMBL473417 3934 111 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
DB08828 3934 111 None - 1 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.6b01247
89736269 131616 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 493 4 1 8 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCN(c4ccc(O)nn4)CC3)CC2)ncc1Cl nan
CHEMBL3696741 131616 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 493 4 1 8 3.2 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCN(c4ccc(O)nn4)CC3)CC2)ncc1Cl nan
56671927 64593 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822460 64593 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 450 5 1 7 2.9 CCN1CCOCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
137521179 175181 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4583477 175181 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
137521197 171633 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccn5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4473720 171633 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5ccccn5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
25067132 187170 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495620 187170 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 N#Cc1ccc(N2CCCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49840814 81065 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
CHEMBL2160067 81065 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Antagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assayAntagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
ChEMBL 496 5 2 6 6.3 C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1 10.1016/j.bmcl.2012.09.013
25211578 179249 0 None - 0 Mouse 8.4 pIC50 = 8.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
CHEMBL474507 179249 0 None - 0 Mouse 8.4 pIC50 = 8.4 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
56669676 64070 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813106 64070 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
10333 3686 70 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
49848070 3686 70 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
CHEMBL2142592 3686 70 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
DB12550 3686 70 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 512 4 0 6 4.9 Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C 10.1016/j.bmc.2020.115354
2952255 7093 10 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1085503 7093 10 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
10330 3410 48 None - 1 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
6878030 3410 48 None - 1 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL515916 3410 48 None - 1 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 10.1016/j.bmcl.2010.06.033
44250105 194904 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563928 194904 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)cc2)c1 10.1016/j.bmcl.2009.05.112
69045594 131654 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 4 1 5 2.7 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1 nan
CHEMBL3696778 131654 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 424 4 1 5 2.7 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1 nan
89736119 131669 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 1 5 3.1 COCC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696793 131669 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 388 5 1 5 3.1 COCC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
89736167 131064 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 3 0 6 4.0 Cc1cccnc1-c1cc(N2CCN(c3ncc(Br)cn3)CC2)ncc1Cl nan
CHEMBL3692751 131064 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 444 3 0 6 4.0 Cc1cccnc1-c1cc(N2CCN(c3ncc(Br)cn3)CC2)ncc1Cl nan
49862237 14838 0 None - 3 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209157 14838 0 None - 3 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 395 6 0 5 4.3 COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 10.1016/j.bmcl.2010.06.033
67508369 131079 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 2 5 4.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCC3C(=O)Nc4ccccc43)CC2)ncc1Cl nan
CHEMBL3692766 131079 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 489 6 2 5 4.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NCCC3C(=O)Nc4ccccc43)CC2)ncc1Cl nan
56675304 64585 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822452 64585 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
70680398 80425 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 80425 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
56673505 63779 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808159 63779 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 355 2 0 3 2.1 CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
71451240 80414 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
CHEMBL2152364 80414 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
71451241 80416 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 440 6 2 4 3.6 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCC(F)(F)F 10.1021/ml300172p
CHEMBL2152370 80416 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 440 6 2 4 3.6 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCC(F)(F)F 10.1021/ml300172p
71451243 80421 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152376 80421 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44186184 187510 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498017 187510 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 392 4 0 4 5.3 N#Cc1ccc(N2CCC(c3cn(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508089 131038 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 5 3.5 Cc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl nan
CHEMBL3692725 131038 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 372 2 0 5 3.5 Cc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl nan
168293439 191535 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 632 8 3 11 5.1 Cc1c(-c2cnn(C)c2)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5203629 191535 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 632 8 3 11 5.1 Cc1c(-c2cnn(C)c2)nnc(N2CCC(NC(=O)Nc3ccc(Oc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
122185870 122240 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604612 122240 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
155538962 172218 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
CHEMBL4513409 172218 0 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1cnc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
122185869 122239 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4Cl)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604611 122239 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 456 4 2 5 5.9 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4Cl)c3)cc2s1 10.1016/j.bmcl.2015.06.049
90656292 110529 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 440 5 1 7 2.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N(C)CCO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262631 110529 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 440 5 1 7 2.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N(C)CCO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
90286320 110546 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 369 3 1 6 3.1 Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262650 110546 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 369 3 1 6 3.1 Cc1cnc(-c2cc(N3CCn4cc(CO)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
44628452 64767 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
CHEMBL1823843 64767 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 511 4 1 7 4.8 CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 10.1016/j.bmcl.2011.07.031
6404568 187240 10 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 187240 10 None - 0 Mouse 6.4 pIC50 = 6.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
89736140 131041 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 330 2 0 4 2.8 CC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692728 131041 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 330 2 0 4 2.8 CC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
155517391 169608 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 1 9 3.9 Cc1ccc(OCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4444651 169608 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 1 9 3.9 Cc1ccc(OCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56668542 64567 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822304 64567 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 474 5 1 6 4.6 O=C(NCC1(N2CCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56683157 64068 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813104 64068 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56669677 64072 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813108 64072 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
127039452 136169 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
CHEMBL3740447 136169 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 514 6 3 4 6.6 O=C(NC(=O)c1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 10.1039/C5MD00092K
68747277 76140 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 500 8 1 7 5.2 Cc1ccc(-c2ncc(CN3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059872 76140 2 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 500 8 1 7 5.2 Cc1ccc(-c2ncc(CN3CCOCC3)s2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
44186313 187403 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 187403 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508663 131088 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 478 4 1 7 1.9 Cc1cccnc1-c1cc(N2CCC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
CHEMBL3692774 131088 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 478 4 1 7 1.9 Cc1cccnc1-c1cc(N2CCC(C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ncc1Cl nan
89736380 131619 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC[C@H]3CO)CC2)ncc1Cl nan
CHEMBL3696744 131619 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 1 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N3CCCC[C@H]3CO)CC2)ncc1Cl nan
44628618 64764 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 3 1 5 4.1 O=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823840 64764 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 3 1 5 4.1 O=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
90656299 110539 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 494 4 1 6 5.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)c(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262643 110539 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 494 4 1 6 5.2 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)c(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56675305 64587 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822454 64587 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
6404568 187240 10 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496013 187240 10 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 380 4 0 4 4.5 c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 10.1021/jm900309j
57538993 75169 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 392 3 2 5 2.9 CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043432 75169 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 392 3 2 5 2.9 CN1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
89736028 131049 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 5 1 5 2.8 Cc1cccnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
CHEMBL3692736 131049 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 5 1 5 2.8 Cc1cccnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
71453058 80426 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 489 5 2 5 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cn2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152381 80426 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysisInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
ChEMBL 489 5 2 5 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cn2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
137521236 174642 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4571341 174642 0 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 618 8 1 7 6.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
127052154 140254 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 472 3 1 6 4.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818648 140254 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 472 3 1 6 4.5 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
156017664 177297 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 442 5 1 6 3.4 CN(C(=O)c1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
CHEMBL4644469 177297 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 442 5 1 6 3.4 CN(C(=O)c1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1 10.1016/j.bmc.2020.115354
67379418 76141 3 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059873 76141 3 None - 0 Human 7.4 pIC50 = 7.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 401 6 1 5 5.3 Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
89736179 131628 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 317 2 1 4 3.4 Cc1cnc(-c2cc(N3CCC(O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696753 131628 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 317 2 1 4 3.4 Cc1cnc(-c2cc(N3CCC(O)CC3)ncc2Cl)c(C)c1 nan
73729049 111665 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Antagonist activity at smoothened (unknown origin)Antagonist activity at smoothened (unknown origin)
ChEMBL 454 4 0 6 4.9 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccc(Cl)cc23)CCN1c1ccc(C#N)cn1 10.1021/jm500338n
CHEMBL3290331 111665 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Antagonist activity at smoothened (unknown origin)Antagonist activity at smoothened (unknown origin)
ChEMBL 454 4 0 6 4.9 C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccc(Cl)cc23)CCN1c1ccc(C#N)cn1 10.1021/jm500338n
CHEMBL1808447 63830 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 480 4 1 3 4.8 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@H](c4ccccc4)C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
90299614 110538 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)cc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262642 110538 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5ccc(F)cc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
20875737 187365 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497003 187365 3 None - 0 Mouse 5.4 pIC50 = 5.4 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56668936 64784 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823865 64784 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 406 3 1 6 3.4 O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
67266280 75170 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 407 3 3 5 3.3 CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043433 75170 0 None - 0 Mouse 7.4 pIC50 = 7.4 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 407 3 3 5 3.3 CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
134155965 150697 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 458 4 2 3 6.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4[nH]3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3960082 150697 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 458 4 2 3 6.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4[nH]3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
56669675 64066 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813102 64066 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
44395109 65946 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 524 8 2 5 6.2 Cc1ccc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL184712 65946 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 524 8 2 5 6.2 Cc1ccc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
22291085 65949 1 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 522 8 2 6 5.3 Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL184721 65949 1 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 522 8 2 6 5.3 Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
56668711 64558 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822295 64558 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45273591 194082 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccncc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL557518 194082 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 350 8 1 4 4.3 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccncc2)c1 10.1016/j.bmcl.2009.05.112
56668924 64741 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823616 64741 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 436 3 1 6 4.7 Cn1c(-c2noc(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
155554983 173790 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 3 0 1 4.2 C[C@H]1CN(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4551454 173790 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 3 0 1 4.2 C[C@H]1CN(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
127053107 140228 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 601 4 0 6 7.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818296 140228 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 601 4 0 6 7.1 Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)c2)nc2ccccc21 10.1039/C6MD00020G
24776445 3934 111 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
4227 3934 111 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
6975 3934 111 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
CHEMBL473417 3934 111 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
DB08828 3934 111 None - 1 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
155547338 173007 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4532846 173007 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 2 8 4.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
56678641 64575 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822442 64575 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56658050 64579 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822446 64579 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
56661560 64576 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822443 64576 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
25065064 187207 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 187207 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
20885871 161972 5 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4167751 161972 5 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
155523014 170172 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cccnc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4452315 170172 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cccnc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56663079 63833 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808450 63833 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1c(Cl)cccc1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
20885871 161972 5 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
CHEMBL4167751 161972 5 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 492 7 2 7 5.2 Cc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cc1 10.1016/j.ejmech.2019.03.057
56659806 63700 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1807228 63700 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 497 5 1 5 3.8 COc1cccc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c1 10.1016/j.bmcl.2011.06.024
69046649 131673 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2nc(N3CCC(NC(=O)CO)CC3)ccc2Cl)c(C)c1 nan
CHEMBL3696797 131673 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2nc(N3CCC(NC(=O)CO)CC3)ccc2Cl)c(C)c1 nan
56678643 64595 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822462 64595 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 482 4 1 6 4.4 CN1CCc2ccccc2C1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44629155 64755 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823830 64755 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 433 3 1 5 5.4 O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56658550 64725 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccc4ccccc4n3)o2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823580 64725 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccc4ccccc4n3)o2)CC1 10.1016/j.bmcl.2011.07.031
134152501 152754 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 511 4 1 3 7.5 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(c4ccccc4n3C)C[C@H]21 10.1021/acs.jmedchem.6b01247
CHEMBL3977846 152754 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 511 4 1 3 7.5 C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2Cc3c(c4ccccc4n3C)C[C@H]21 10.1021/acs.jmedchem.6b01247
56683156 64059 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 64059 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
44186430 187322 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 187322 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56668541 64566 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822303 64566 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 5 1 7 4.6 O=C(NCC1(N2CCOCC2)CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56658697 64750 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 399 3 1 5 4.7 O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823824 64750 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 399 3 1 5 4.7 O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56658575 64779 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823860 64779 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 441 3 1 5 4.8 O=C(NC1CCC(F)(F)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56666542 63835 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808452 63835 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 476 3 1 3 4.2 O=C(Nc1ccc(F)c(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56679122 64777 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823858 64777 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 3 1 6 3.1 O=C(NC1CC[S+]([O-])CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44186314 187559 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL498457 187559 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 411 5 1 6 3.4 OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
156021677 177469 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 575 6 1 3 7.6 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(-c3ccccc3)cc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4647112 177469 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 575 6 1 3 7.6 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(-c3ccccc3)cc2)CC1 10.1016/j.bmc.2020.115354
89736215 131622 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 411 4 1 7 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cnn(C)n3)CC2)ncc1Cl nan
CHEMBL3696747 131622 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 411 4 1 7 3.1 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cnn(C)n3)CC2)ncc1Cl nan
44591290 178796 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473892 178796 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56675307 64590 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822457 64590 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 434 5 1 6 3.7 CCN1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56672544 64758 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 424 3 1 6 4.6 N#Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823833 64758 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 424 3 1 6 4.6 N#Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56672043 64563 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822300 64563 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 436 5 1 7 2.5 O=C(NCCN1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
44186430 187322 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496604 187322 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
53387681 64600 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822467 64600 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
136210511 74448 20 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031290 74448 20 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 538 8 4 6 5.7 COc1cc(C(=O)NC(=N)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
10334 424 18 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 424 18 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 424 18 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
44250034 194540 7 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561533 194540 7 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 379 9 1 4 4.9 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1 10.1016/j.bmcl.2009.05.112
68778068 76126 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059859 76126 1 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 434 6 2 4 5.8 Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70684298 76133 2 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059866 76133 2 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 1 5 4.6 Cc1ccc(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
25166913 1773 52 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
5304 1773 52 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
8201 1773 52 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
CHEMBL2043437 1773 52 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
DB11978 1773 52 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C 10.1021/ml2002423
24776445 3934 111 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
4227 3934 111 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
6975 3934 111 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
CHEMBL473417 3934 111 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
DB08828 3934 111 None - 1 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/ml2002423
2880709 75167 12 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 371 3 2 4 4.3 O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
CHEMBL2043430 75167 12 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 371 3 2 4 4.3 O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
57539031 75172 0 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 417 3 3 3 4.5 CN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043435 75172 0 None - 0 Mouse 8.3 pIC50 = 8.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 417 3 3 3 4.5 CN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
49862236 14837 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209156 14837 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
24776445 3934 111 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
4227 3934 111 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
6975 3934 111 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
CHEMBL473417 3934 111 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
DB08828 3934 111 None - 1 Human 8.3 pIC50 = 8.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C6MD00020G
46891299 6927 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
CHEMBL1084737 6927 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 451 4 0 5 4.7 C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 10.1016/j.bmcl.2010.04.110
46890992 6959 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1084837 6959 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 428 3 0 4 4.9 O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
46871826 7214 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1086045 7214 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 408 3 0 4 4.6 C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
122185868 122238 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604610 122238 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assayInhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
56956240 107031 55 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assayBinding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assay
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 10.1016/j.ejmech.2021.113268
CHEMBL3186656 107031 55 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assayBinding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assay
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 10.1016/j.ejmech.2021.113268
122185873 122241 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(F)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604615 122241 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 440 4 2 5 5.4 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4cccc(F)c4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
58348067 80409 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152357 80409 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
71453057 80419 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccc(Cl)c1 10.1021/ml300172p
CHEMBL2152373 80419 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 454 5 2 4 4.1 O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccc(Cl)c1 10.1021/ml300172p
71461979 80420 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 460 5 2 4 4.3 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](C2CCCCC2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152375 80420 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 460 5 2 4 4.3 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](C2CCCCC2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
71460284 80423 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 472 5 2 4 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152379 80423 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 472 5 2 4 4.2 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
11762419 33772 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL142450 33772 0 None - 0 Mouse 5.3 pIC50 = 5.3 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
155554445 174065 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
CHEMBL4558043 174065 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)cn1 10.1016/j.ejmech.2019.03.057
56678641 64575 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822442 64575 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 488 5 1 6 5.0 O=C(NCC1(N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56675304 64585 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822452 64585 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 503 5 1 7 3.7 CN1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
44629232 64753 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 413 3 1 5 5.0 Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823828 64753 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 413 3 1 5 5.0 Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56680280 63707 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 6 2.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807235 63707 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 6 2.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
67508217 131035 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 418 4 1 5 3.1 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1 nan
CHEMBL3692722 131035 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 418 4 1 5 3.1 CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1 nan
89736227 131679 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 2 5 3.5 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3696803 131679 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 420 5 2 5 3.5 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
67508192 131047 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 5 0 5 2.8 COCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692734 131047 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 5 0 5 2.8 COCCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
89735953 131096 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOCC3)CC2)ncc1Cl nan
CHEMBL3692781 131096 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.6 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOCC3)CC2)ncc1Cl nan
134152007 152810 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccc(OC(F)(F)F)cc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3978393 152810 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccc(OC(F)(F)F)cc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
44629071 64581 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822448 64581 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 502 6 2 6 5.4 O=C(NCC1(NC2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56669674 64065 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813101 64065 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 476 3 1 3 4.2 O=C(Nc1c(Cl)cc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
90656291 110528 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 5 1 6 3.8 Cc1cnc(-c2cc(N3CCn4cc(C(=O)NCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262630 110528 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 436 5 1 6 3.8 Cc1cnc(-c2cc(N3CCn4cc(C(=O)NCC5CC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
56671926 64584 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822451 64584 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 518 6 1 7 4.6 COC1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 10.1016/j.bmcl.2011.07.030
25065681 192075 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 192075 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89735998 131070 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
CHEMBL3692757 131070 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 402 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl nan
69047949 131663 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 373 5 1 5 2.4 CN(C)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3696787 131663 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 373 5 1 5 2.4 CN(C)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 nan
154708544 173302 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 2 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4539606 173302 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 300 2 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccccc1 10.1021/acs.jmedchem.9b00283
44591345 172201 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL451194 172201 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56661560 64576 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822443 64576 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 476 7 1 6 4.8 CCN(CC)C1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
44186376 190776 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
CHEMBL519219 190776 0 None - 0 Mouse 7.3 pIC50 = 7.3 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 437 5 1 6 3.9 OC1(c2ccc(N3CCN(c4nnc(Cc5ccccc5)c5ccccc45)CC3)nc2)CC1 10.1021/jm900309j
89736348 131648 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2cc(N3CCC(NC(=O)CO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696772 131648 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 2 5 2.5 Cc1cnc(-c2cc(N3CCC(NC(=O)CO)CC3)ncc2Cl)c(C)c1 nan
155534285 171368 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cnccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4470299 171368 0 None - 0 Mouse 6.3 pIC50 = 6.3 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 489 7 2 10 3.6 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cnccc4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
90656296 110532 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 480 5 0 7 3.9 COC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262636 110532 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 480 5 0 7 3.9 COC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
127052485 140325 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 499 4 1 6 6.2 Cn1c(-c2cc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3819559 140325 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 499 4 1 6 6.2 Cn1c(-c2cc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
156010447 176470 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 447 6 1 6 3.5 COc1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
CHEMBL4632537 176470 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 447 6 1 6 3.5 COc1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3Nc3ccnn3C)CC2)cc1 10.1016/j.bmc.2020.115354
155512546 169091 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 1 8 4.1 Cc1ccc(CCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4437383 169091 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 493 7 1 8 4.1 Cc1ccc(CCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
10951208 34392 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL142972 34392 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
44591345 172201 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL451194 172201 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 568 6 2 2 8.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NC(c2ccccc2)C(F)(F)F)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
89736246 131066 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 5 1 5 2.9 Cc1cccnc1-c1cc(N2CCC(CNS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3692753 131066 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 5 1 5 2.9 Cc1cccnc1-c1cc(N2CCC(CNS(C)(=O)=O)CC2)ncc1Cl nan
67508530 131637 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 2.1 Cc1cnc(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696761 131637 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 2.1 Cc1cnc(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)c(C)c1 nan
137521182 170426 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 647 9 1 7 7.2 COc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
CHEMBL4456292 170426 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 647 9 1 7 7.2 COc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
155515079 169357 0 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4441183 169357 0 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
56681961 64580 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822447 64580 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 462 6 2 6 4.5 CC(C)NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
69045593 131653 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
CHEMBL3696777 131653 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 381 4 1 6 2.0 Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
134152881 152633 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 490 5 1 7 5.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3976847 152633 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 490 5 1 7 5.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nnc(-c4ccnn4C)o3)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
97046899 175298 1 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4586057 175298 1 None - 1 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
44186115 187427 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 187427 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
24797889 178513 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
CHEMBL471672 178513 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 504 6 2 3 7.1 Cc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 10.1016/j.bmcl.2008.11.096
53387681 64600 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
CHEMBL1822467 64600 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 492 5 1 8 3.3 Cn1c(-c2noc(N3CCN(C(=O)NCC4(N5CCCCC5)CCCC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.030
44186313 187403 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497266 187403 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 5 1 6 4.1 CC(C)(N)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
24776445 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
4227 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
6975 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
CHEMBL473417 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
DB08828 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assayDisplacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1039/C5MD00092K
67509257 131032 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3692719 131032 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 394 4 1 5 2.9 Cc1cnc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
56956240 107031 55 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3186656 107031 55 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 436 5 0 6 2.5 Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 nan
56676511 64078 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
CHEMBL1813113 64078 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 480 4 1 3 4.8 C[C@@]12CN(C(=O)Nc3ccccc3-c3ccccc3)CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O 10.1016/j.bmcl.2011.06.023
56664981 64594 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822461 64594 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 468 4 2 6 4.1 O=C(NCC1NCCc2ccccc21)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
70680398 80425 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152380 80425 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 488 5 2 4 4.8 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
56665495 64731 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.5 CC1(c2nc(-c3ccc4ccccc4n3)no2)CCN(C(=O)Nc2ccccc2Cl)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823588 64731 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.5 CC1(c2nc(-c3ccc4ccccc4n3)no2)CCN(C(=O)Nc2ccccc2Cl)CC1 10.1016/j.bmcl.2011.07.031
71461978 80413 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 544 7 2 4 5.6 O=C(C[C@@H]1C/C=C/C[C@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152362 80413 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 544 7 2 4 5.6 O=C(C[C@@H]1C/C=C/C[C@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44186375 184684 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 184684 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67378301 75699 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2057337 75699 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 436 6 2 6 4.6 Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
56669951 63840 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808457 63840 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 483 3 1 4 3.9 N#Cc1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
56662003 64730 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
CHEMBL1823587 64730 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
56673644 63702 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
CHEMBL1807230 63702 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 471 4 1 6 2.5 Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1 10.1016/j.bmcl.2011.06.024
56964692 74435 11 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
CHEMBL2031268 74435 11 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 555 8 3 6 6.1 COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 10.1021/jm2013369
89735838 131073 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 447 5 1 5 4.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(c4ccccn4)CC3)CC2)ncc1Cl nan
CHEMBL3692760 131073 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 447 5 1 5 4.5 Cc1cccnc1-c1cc(N2CCC(C(=O)NC3(c4ccccn4)CC3)CC2)ncc1Cl nan
163215598 189366 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 631 8 4 11 5.1 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Nc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
CHEMBL5170628 189366 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assayInhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
ChEMBL 631 8 4 11 5.1 Cc1c(-c2ccnn2C)nnc(N2CCC(NC(=O)Nc3ccc(Nc4nc(NC5CCOCC5)ncc4Cl)cc3)CC2)c1C 10.1016/j.bmc.2022.117051
56675303 64578 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822445 64578 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
45270118 193471 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 8 1 5 3.6 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ncccn2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550191 193471 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 351 8 1 5 3.6 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ncccn2)c1 10.1016/j.bmcl.2009.05.112
56661562 64592 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822459 64592 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
10328 1259 58 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
442972 1259 58 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
CHEMBL254129 1259 58 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/jm2013369
122185868 122238 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604610 122238 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 422 4 2 5 5.2 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
49862236 14837 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209156 14837 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 380 5 0 5 3.7 COc1cccc(N2CCN(Cc3cnn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
89736442 131072 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCc3ncc[nH]3)CC2)ncc1Cl nan
CHEMBL3692759 131072 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 410 5 2 5 3.4 Cc1cccnc1-c1cc(N2CCC(C(=O)NCc3ncc[nH]3)CC2)ncc1Cl nan
56665494 64729 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
CHEMBL1823586 64729 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.7 C[C@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl 10.1016/j.bmcl.2011.07.031
18526613 187241 4 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 187241 4 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
67508477 131641 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.4 Cc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696765 131641 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 374 4 1 5 2.4 Cc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1 nan
56661561 64591 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822458 64591 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CC(C)N1CCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56679828 64063 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813099 64063 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 10.1016/j.bmcl.2011.06.023
90656306 110550 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 426 5 1 7 3.2 COCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262654 110550 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 426 5 1 7 3.2 COCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
44186312 187209 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495877 187209 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 438 6 0 6 4.0 CN(C)Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186115 187427 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 187427 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
89751017 131678 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 5 1 5 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
CHEMBL3696802 131678 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 5 1 5 2.9 Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl nan
44186375 184684 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL485869 184684 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 425 5 1 6 4.0 CC(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736283 131078 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
CHEMBL3692765 131078 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
56675420 64564 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822301 64564 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 464 5 1 7 3.3 CC(C)(CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCOCC1 10.1016/j.bmcl.2011.07.030
56679827 64062 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813098 64062 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@@H]3C[C@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56662176 64754 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 2 0 5 5.0 O=C(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCCc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823829 64754 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 439 2 0 5 5.0 O=C(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCCc2ccccc21 10.1016/j.bmcl.2011.07.031
56683157 64068 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813104 64068 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56673641 63696 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807224 63696 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 501 4 1 4 4.4 O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
45272656 193976 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL556427 193976 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1 10.1016/j.bmcl.2009.05.112
156009810 176485 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(C#N)cc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4632758 176485 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(C#N)cc2)CC1 10.1016/j.bmc.2020.115354
155568965 175611 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3cccnc3)s2)CC1 10.1016/j.ejmech.2019.03.057
CHEMBL4593367 175611 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 480 7 2 9 3.6 CC1CCCCC1NC(=O)C1CCN(c2nnc(-n3nccc3CNc3cccnc3)s2)CC1 10.1016/j.ejmech.2019.03.057
44186429 187321 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 187321 0 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25066518 187432 1 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 187432 1 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56676510 64061 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813097 64061 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 458 3 1 3 4.0 O=C(Nc1cccc(Cl)c1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
56682417 64781 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823862 64781 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
90299647 110525 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 411 4 0 7 3.8 CCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262627 110525 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 411 4 0 7 3.8 CCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
20875737 187365 3 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497003 187365 3 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 382 4 0 6 3.3 c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56675419 64559 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822296 64559 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
25065681 192075 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 192075 0 None - 0 Mouse 6.2 pIC50 = 6.2 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
25211577 179242 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474503 179242 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
25211578 179249 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
CHEMBL474507 179249 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 521 6 2 4 7.0 Cc1csc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 10.1016/j.bmcl.2008.11.096
56683159 64076 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813111 64076 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
24776445 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
4227 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
6975 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
CHEMBL473417 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
DB08828 3934 111 None - 1 Human 8.2 pIC50 = 8.2 Binding
Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyDisplacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/jm2013369
56682418 64783 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823864 64783 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 445 3 1 7 3.0 Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
68780878 76134 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
CHEMBL2059867 76134 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1 10.1016/j.bmcl.2012.04.104
46891165 6541 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1083285 6541 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 442 3 0 4 5.3 C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
155515209 169378 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441529 169378 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
155515124 169362 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441310 169362 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
155515209 169378 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4441529 169378 0 None - 0 Mouse 8.2 pIC50 = 8.2 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
89736186 131684 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 440 5 0 6 2.3 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696808 131684 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 440 5 0 6 2.3 Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
46891246 6923 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 450 4 0 4 5.8 CC(C)c1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
CHEMBL1084731 6923 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 450 4 0 4 5.8 CC(C)c1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 10.1016/j.bmcl.2010.04.110
56676509 64060 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813096 64060 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
44186378 191861 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL520858 191861 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 455 6 2 7 3.1 CC(O)(CO)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
45267528 194641 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL562270 194641 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1 10.1016/j.bmcl.2009.05.112
56659677 63791 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808283 63791 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 434 3 1 5 2.5 O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
16731271 190357 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
CHEMBL5185871 190357 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
ChEMBL 497 5 3 5 5.1 C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1 10.1016/j.ejmech.2021.113268
44629236 64734 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823591 64734 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 434 3 1 6 4.3 O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56658169 64560 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822297 64560 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 516 5 1 6 4.7 O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
67311782 80417 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 387 3 1 5 3.5 CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O 10.1021/ml300172p
CHEMBL2152371 80417 0 None - 0 Mouse 5.2 pIC50 = 5.2 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 387 3 1 5 3.5 CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O 10.1021/ml300172p
25066518 187432 1 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 187432 1 None - 0 Mouse 7.2 pIC50 = 7.2 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736295 131077 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 438 5 1 7 3.8 COc1cnc(NC(=O)C2CCN(c3cc(-c4ncccc4C)c(Cl)cn3)CC2)cn1 nan
CHEMBL3692764 131077 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 438 5 1 7 3.8 COc1cnc(NC(=O)C2CCN(c3cc(-c4ncccc4C)c(Cl)cn3)CC2)cn1 nan
156021963 177625 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 500 5 1 4 5.4 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2cccnc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
CHEMBL4649551 177625 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 500 5 1 4 5.4 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2cccnc2Nc2ccccc2)CC1 10.1016/j.bmc.2020.115354
56661679 64565 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822302 64565 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 504 5 1 7 4.2 O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
57539103 75174 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
CHEMBL2043438 75174 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 374 3 3 4 3.4 CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1nc2ccccc2[nH]1 10.1021/ml2002423
67507994 131636 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 2 0 5 3.3 COC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
CHEMBL3696760 131636 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 2 0 5 3.3 COC(=O)N1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1 nan
67509754 131089 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@@H](O)CC3)CC2)ncc1Cl nan
CHEMBL3692775 131089 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 428 4 2 5 3.7 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@H]3CC[C@@H](O)CC3)CC2)ncc1Cl nan
45270935 193480 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550254 193480 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 339 6 1 3 4.2 CCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 10.1016/j.bmcl.2009.05.112
25065064 187207 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495875 187207 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 424 5 1 6 3.0 NC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186526 187396 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
CHEMBL497210 187396 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 439 4 1 6 3.7 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4[nH]cnc34)CC2)nc1 10.1021/jm900309j
44186115 187427 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 187427 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44186181 187459 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 187459 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
155559228 174273 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 404 3 0 2 4.4 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F 10.1021/acs.jmedchem.9b00283
CHEMBL4562945 174273 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 404 3 0 2 4.4 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F 10.1021/acs.jmedchem.9b00283
24776445 3934 111 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
4227 3934 111 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
6975 3934 111 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
CHEMBL473417 3934 111 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
DB08828 3934 111 None - 1 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic methodDisplacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.ejmech.2019.03.057
25066520 192009 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 192009 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
90656304 110544 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 451 4 0 7 4.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262648 110544 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 451 4 0 7 4.7 Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC5CCCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
67509145 131027 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
CHEMBL3692714 131027 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 380 4 1 5 2.6 Cc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 nan
44629295 64736 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cc4ccccc4cn3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823602 64736 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 429 4 1 6 4.7 COc1ccccc1NC(=O)N1CCC(c2nc(-c3cc4ccccc4cn3)no2)CC1 10.1016/j.bmcl.2011.07.031
56672545 64763 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 4 1 5 4.0 O=C(NCC1CCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823839 64763 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 391 4 1 5 4.0 O=C(NCC1CCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
11762419 33772 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
CHEMBL142450 33772 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 468 4 2 3 5.8 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 10.1016/j.bmcl.2008.11.096
156019869 177357 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccc(Nc2ccccc2C(=O)N2CCC(N(C)C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 10.1016/j.bmc.2020.115354
CHEMBL4645447 177357 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 529 6 1 4 6.0 COc1ccc(Nc2ccccc2C(=O)N2CCC(N(C)C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 10.1016/j.bmc.2020.115354
56682417 64781 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
CHEMBL1823862 64781 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 458 3 1 8 2.1 Cn1c(-c2noc(C3CCN(C(=O)NC4CCS(=O)(=O)CC4)CC3)n2)nc2ccccc21 10.1016/j.bmcl.2011.07.031
56666261 64067 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
CHEMBL1813103 64067 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 529 4 1 4 3.7 CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.023
56673459 63839 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
CHEMBL1808456 63839 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 536 4 1 5 3.4 CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)c(Cl)c1 10.1016/j.bmcl.2011.06.024
89751022 131050 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 3.4 COC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
CHEMBL3692737 131050 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 360 3 1 5 3.4 COC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 nan
25211677 179574 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474892 179574 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 507 6 2 4 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56680082 63834 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808451 63834 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 438 3 1 3 3.7 Cc1cccc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
18526613 187241 4 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
CHEMBL496014 187241 4 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 381 4 0 5 3.9 c1ccc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 10.1021/jm900309j
44412191 137847 0 None - 4 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL377200 137847 0 None - 4 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
56680279 63706 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 5 3.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)CC2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807234 63706 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 470 4 1 5 3.3 O=C(Nc1ccnn1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)CC2C1 10.1016/j.bmcl.2011.06.024
44187367 3682 26 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assay
ChEMBL 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 10.1016/j.ejmech.2021.113268
8200 3682 26 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assay
ChEMBL 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 10.1016/j.ejmech.2021.113268
CHEMBL2205230 3682 26 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assayInhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assay
ChEMBL 576 9 2 8 2.4 OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC 10.1016/j.ejmech.2021.113268
44186115 187427 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
CHEMBL497436 187427 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc(C#N)cn1 10.1021/jm900309j
44591290 178796 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473892 178796 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 487 6 2 3 6.3 O=C(Nc1ccc2c(c1)CC(NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56675303 64578 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822445 64578 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 420 4 2 6 3.4 NC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
44629065 64728 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.6 CC1CN(C(=O)Nc2ccccc2Cl)CCC1c1nc(-c2ccc3ccccc3n2)no1 10.1016/j.bmcl.2011.07.031
CHEMBL1823585 64728 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 447 3 1 5 5.6 CC1CN(C(=O)Nc2ccccc2Cl)CCC1c1nc(-c2ccc3ccccc3n2)no1 10.1016/j.bmcl.2011.07.031
90656293 110531 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 452 3 0 7 3.1 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262633 110531 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 452 3 0 7 3.1 Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
44591325 178797 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL473896 178797 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 500 6 2 2 7.2 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56671929 64599 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822466 64599 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 489 5 1 7 3.9 O=C(NCC1(N2CCCCC2)CCCC1)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
10334 424 18 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
24905375 424 18 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
CHEMBL485870 424 18 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 439 5 1 6 4.2 CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C 10.1021/jm900309j
49862238 14839 13 None - 2 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
CHEMBL1209158 14839 13 None - 2 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 367 6 0 5 3.6 COc1cccc(F)c1OC1CN(Cc2cnn(-c3ccccc3)c2C)C1 10.1016/j.bmcl.2010.06.033
155560589 174469 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4567678 174469 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
155560589 174469 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
CHEMBL4567678 174469 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 494 7 2 9 4.0 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)s2)nc1 10.1016/j.ejmech.2019.03.057
56661562 64592 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822459 64592 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 5 1 6 4.0 CCN1CCCCC1CNC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
89736390 131683 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 6 1.7 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CCO)CC2)ncc1Cl nan
CHEMBL3696807 131683 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 5 1 6 1.7 Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CCO)CC2)ncc1Cl nan
70680396 80410 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 482 5 1 4 4.8 C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
CHEMBL2152359 80410 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 482 5 1 4 4.8 C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C 10.1021/ml300172p
71454800 80412 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
CHEMBL2152361 80412 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 468 5 2 4 4.3 C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O 10.1021/ml300172p
71451242 80418 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 411 3 0 3 5.0 CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](Cc2ccc(Cl)cc2)C1=O 10.1021/ml300172p
CHEMBL2152372 80418 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assayInhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
ChEMBL 411 3 0 3 5.0 CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](Cc2ccc(Cl)cc2)C1=O 10.1021/ml300172p
155548312 173206 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 286 3 0 2 3.2 C[C@H]1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4537455 173206 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 286 3 0 2 3.2 C[C@H]1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
155566181 175163 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4582942 175163 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
155519250 169779 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nn1 10.1016/j.ejmech.2019.03.057
CHEMBL4447291 169779 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assayAntagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
ChEMBL 495 7 2 10 3.3 Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nn1 10.1016/j.ejmech.2019.03.057
56668711 64558 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822295 64558 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 481 5 1 5 5.7 O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
122185875 122243 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 4 2 5 5.5 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(C)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604617 122243 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 436 4 2 5 5.5 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccc(C)cc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
71451243 80421 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152376 80421 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assayInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
44591347 179066 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474302 179066 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 486 5 2 2 7.5 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
25065681 192075 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521900 192075 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 440 4 0 6 4.5 N#Cc1ccc(N2CCN(c3nnc(Cc4cccc(Cl)c4)c4ccccc34)CC2)nc1 10.1021/jm900309j
67508879 131640 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 4 0 5 2.6 Cc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
CHEMBL3696764 131640 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 387 4 0 5 2.6 Cc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 nan
25066518 187432 1 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497534 187432 1 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 406 4 0 6 3.8 N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
49862154 14818 12 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
CHEMBL1209048 14818 12 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assayInhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay
ChEMBL 394 5 0 5 4.0 COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 10.1016/j.bmcl.2010.06.033
67509701 131063 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 4 1 6 1.7 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
CHEMBL3692750 131063 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 367 4 1 6 1.7 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 nan
56659616 63841 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808458 63841 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 463 3 1 4 3.6 Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
134151929 152913 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4cc(OC(F)(F)F)ccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3979327 152913 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 556 5 1 5 7.8 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4cc(OC(F)(F)F)ccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
68039822 131671 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)c2F)CC1 nan
CHEMBL3696795 131671 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 384 4 1 5 2.5 CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)c2F)CC1 nan
132606868 155554 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
CHEMBL4063037 155554 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 403 3 1 2 5.2 O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 10.1021/acs.jmedchem.6b01135
44186181 187459 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
CHEMBL497639 187459 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 420 4 0 6 4.2 C[C@@H]1CN(c2ccc(C#N)cn2)CCN1c1nnc(Cc2ccccc2)c2ccccc12 10.1021/jm900309j
56675800 64778 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823859 64778 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysisDisplacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 455 3 1 7 2.8 O=C(NC1CCS(=O)(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
56675306 64589 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822456 64589 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1ccncc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
56679239 64773 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
CHEMBL1823854 64773 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysisInhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
ChEMBL 407 3 1 6 3.4 O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.031
44591269 179577 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1 10.1016/j.bmcl.2008.11.096
CHEMBL474894 179577 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)CC(NCc2ccccn2)C3)c1 10.1016/j.bmcl.2008.11.096
86294818 110537 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccc(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262641 110537 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 476 4 1 6 5.0 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Nc5cccc(F)c5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
9827343 120475 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL356310 120475 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 501 6 2 3 6.6 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56680278 63695 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807223 63695 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 467 4 1 4 3.8 O=C(Nc1ccncc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56666698 63701 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1807229 63701 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 473 4 1 5 3.8 O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
59174944 75168 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 377 3 2 4 3.8 O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
CHEMBL2043431 75168 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assayInhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
ChEMBL 377 3 2 4 3.8 O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)OCCO2 10.1021/ml2002423
56659615 63831 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808448 63831 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 3 1 3 4.0 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3Cc4ccccc4C3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
71451243 80421 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
CHEMBL2152376 80421 0 None - 0 Mouse 5.1 pIC50 = 5.1 Binding
Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activityInhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
ChEMBL 468 6 2 4 4.0 O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1 10.1021/ml300172p
137521007 170019 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 659 9 1 7 7.4 CC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
CHEMBL4450586 170019 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 659 9 1 7 7.4 CC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1 10.1021/acs.jmedchem.8b01283
56670007 63794 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808286 63794 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
56659617 63843 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808460 63843 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 458 3 1 3 3.7 O=C(Nc1ccccc1C(F)(F)F)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
90299606 110549 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 4.0 CCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
CHEMBL3262653 110549 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 410 4 1 6 4.0 CCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 10.1016/j.bmcl.2014.03.079
25211577 179242 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL474503 179242 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 506 6 2 3 7.3 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 10.1016/j.bmcl.2008.11.096
56683159 64076 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813111 64076 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
ChEMBL 474 4 1 5 3.0 O=C(Nc1ccnn1-c1cccc(F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 10.1016/j.bmcl.2011.06.023
70690618 76135 1 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059868 76135 1 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 398 6 2 4 4.9 Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
70696850 76139 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
CHEMBL2059871 76139 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assayInhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
ChEMBL 452 6 2 4 5.6 Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 10.1016/j.bmcl.2012.04.104
137521227 171513 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4472296 171513 0 None - 0 Mouse 8.1 pIC50 = 8.1 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 571 7 3 7 5.0 C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(NC(=O)NN)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
46890873 6515 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 401 3 0 6 3.7 O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1083104 6515 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 401 3 0 6 3.7 O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
132991430 151295 0 None - 0 Mouse 8.0 pIC50 = 8.0 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
CHEMBL3965352 151295 0 None - 0 Mouse 8.0 pIC50 = 8.0 Binding
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayInhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
ChEMBL 472 4 1 4 6.9 Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3nc4ccccc4n3C)c1)CC[C@H]2C 10.1021/acs.jmedchem.6b01247
67508853 131627 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1cccnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696752 131627 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 422 5 0 6 2.2 Cc1cccnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl nan
44186310 187208 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 187208 0 None - 0 Mouse 7.1 pIC50 = 7.1 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736064 131075 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
CHEMBL3692762 131075 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 477 5 1 6 2.5 Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)ncc1Cl nan
137644724 157938 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
CHEMBL4090942 157938 0 None - 0 Mouse 6.1 pIC50 = 6.1 Binding
Antagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assayAntagonist activity at mouse FLAG-tagged Smo D477G mutant expressed in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh signaling pathway after 48 hrs by dual luciferase reporter gene assay
ChEMBL 355 4 1 3 4.4 COc1cccc(C(=O)c2c(-c3ccccc3)[nH]c3ccccc3c2=O)c1 10.1021/acs.jmedchem.6b01135
45270940 193533 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1 10.1016/j.bmcl.2009.05.112
CHEMBL550661 193533 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 367 8 1 3 5.0 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1 10.1016/j.bmcl.2009.05.112
45269261 194913 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1 10.1016/j.bmcl.2009.05.112
CHEMBL563992 194913 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 363 8 1 3 5.2 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1 10.1016/j.bmcl.2009.05.112
56658050 64579 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822446 64579 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 448 6 2 6 4.1 CCNC1(CNC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CCCC1 10.1016/j.bmcl.2011.07.030
2953198 6444 13 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 332 2 0 4 3.0 CC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
CHEMBL1082790 6444 13 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 332 2 0 4 3.0 CC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 10.1016/j.bmcl.2010.04.110
56675419 64559 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822296 64559 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
ChEMBL 435 5 2 6 3.7 O=C(NCC1(CO)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
90286529 110547 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 438 4 0 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262651 110547 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 438 4 0 7 3.5 Cc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
25066322 187484 2 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL497819 187484 2 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 405 4 0 5 4.4 N#Cc1ccc(N2CCN(c3cnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44186310 187208 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL495876 187208 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 460 5 1 7 2.6 NS(=O)(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
155515451 169401 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4441914 169401 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assayAntagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
ChEMBL 328 4 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 10.1021/acs.jmedchem.9b00283
127052483 140206 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 8 5.3 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
CHEMBL3818034 140206 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assayDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay
ChEMBL 569 4 0 8 5.3 Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)ccc2Cl)nc2ccccc21 10.1039/C6MD00020G
89735901 131642 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.4 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2CN(C(=O)CC(C)(C)O)C3)ncc1Cl nan
CHEMBL3696766 131642 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 414 4 1 5 3.4 Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2CN(C(=O)CC(C)(C)O)C3)ncc1Cl nan
56676825 63786 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808278 63786 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 426 8 0 3 3.5 CCCCN(CCCC)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
137521075 171426 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
CHEMBL4471156 171426 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR methodInhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
ChEMBL 513 6 1 6 5.6 C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(c4ccc(N)cc4)CC3)cc2)O1 10.1021/acs.jmedchem.8b01283
24798071 178537 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
CHEMBL471881 178537 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assayAntagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
ChEMBL 530 7 2 3 7.2 COc1ccc(CN[C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 10.1016/j.bmcl.2008.11.096
89736238 131093 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 437 5 2 6 3.8 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cccc(CO)n3)CC2)ncc1Cl nan
CHEMBL3692779 131093 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 437 5 2 6 3.8 Cc1cccnc1-c1cc(N2CCC(C(=O)Nc3cccc(CO)n3)CC2)ncc1Cl nan
156010990 176535 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2C#N)CC1 10.1016/j.bmc.2020.115354
CHEMBL4633504 176535 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assayInhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay
ChEMBL 524 5 1 4 5.8 CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2C#N)CC1 10.1016/j.bmc.2020.115354
56673518 63792 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
CHEMBL1808284 63792 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiographyDisplacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.024
122185878 122245 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 408 5 2 5 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NCc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
CHEMBL3604620 122245 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assayInhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
ChEMBL 408 5 2 5 5.6 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NCc4ccccc4)c3)cc2s1 10.1016/j.bmcl.2015.06.049
56683156 64059 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
CHEMBL1813095 64059 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serumDisplacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
ChEMBL 466 4 1 3 4.4 O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(=O)N(C3CC3c3ccccc3)C(=O)C2C1 10.1016/j.bmcl.2011.06.023
25066520 192009 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL521558 192009 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 449 4 0 5 5.0 FC(F)(F)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
89736074 131659 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 4 1 6 2.5 Cc1cc(C#N)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
CHEMBL3696783 131659 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 405 4 1 6 2.5 Cc1cc(C#N)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl nan
56678642 64583 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822450 64583 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 524 5 1 6 5.2 O=C(NCC1(N2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
45269264 194604 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2c(C)cccc2C)c1 10.1016/j.bmcl.2009.05.112
CHEMBL561995 194604 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCSInhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
ChEMBL 377 8 1 3 5.5 CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2c(C)cccc2C)c1 10.1016/j.bmcl.2009.05.112
25065894 192581 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL523255 192581 0 None - 0 Mouse 7.0 pIC50 = 7.0 Binding
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assayDisplacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
ChEMBL 452 6 1 6 3.6 CC(=O)NCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
44412191 137847 0 None - 4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
CHEMBL377200 137847 0 None - 4 Human 7.0 pIC50 = 7.0 Binding
Inhibition of Smoothened transfected in HEK293 cells by binding assayInhibition of Smoothened transfected in HEK293 cells by binding assay
ChEMBL 332 4 0 4 3.5 Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 10.1016/j.bmcl.2010.06.033
46891163 6472 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccncc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
CHEMBL1082967 6472 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Inhibition of human SMO expressed in HEPM cellsInhibition of human SMO expressed in HEPM cells
ChEMBL 409 3 0 5 4.0 C[C@H]1CN(c2nnc(-c3ccncc3)c3ccccc23)CCN1C(=O)c1ccccc1 10.1016/j.bmcl.2010.04.110
90656305 110545 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 0 7 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
CHEMBL3262649 110545 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assayInhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
ChEMBL 459 4 0 7 4.9 Cc1cnc(-c2cc(N3CCn4cc(C(=O)Oc5ccccc5)nc4C3)ncc2Cl)c(C)c1 10.1016/j.bmcl.2014.03.079
68039837 131688 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)ccn2)CC1 nan
CHEMBL3696812 131688 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).Radioligand Competition Binding Assay: For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 μL of Assay Buffer, 10 μL diluted test agent, 20 μL of a tritiated Smo antagonist (15 nM stock solution), and 50 μL of membrane preparation (40 μg total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 μL/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 μL of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
ChEMBL 390 6 0 6 1.9 COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)ccn2)CC1 nan
44186429 187321 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
CHEMBL496603 187321 0 None - 0 Mouse 6.0 pIC50 = 6.0 Binding
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assayInhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
ChEMBL 424 4 0 6 4.0 N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 10.1021/jm900309j
56658051 64588 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
CHEMBL1822455 64588 0 None - 0 Human 5.0 pIC50 = 5 Binding
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serumDisplacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
ChEMBL 513 6 1 8 3.6 O=C(NCC(c1cccnc1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 10.1016/j.bmcl.2011.07.030
156011893 176768 3 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 451 3 1 5 5.7 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(Cl)nc1Cl 10.1016/j.bmc.2020.115584
CHEMBL4637406 176768 3 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 451 3 1 5 5.7 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(Cl)nc1Cl 10.1016/j.bmc.2020.115584
156019217 177394 0 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 485 3 1 5 6.0 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)nc1Cl 10.1016/j.bmc.2020.115584
CHEMBL4645977 177394 0 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 485 3 1 5 6.0 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)nc1Cl 10.1016/j.bmc.2020.115584
10328 1259 58 None - 1 Human 6.9 pKd = 6.9 Binding
Binding affinity to Smo D473H mutant expressed in U2OS cells by scintillation countingBinding affinity to Smo D473H mutant expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 1259 58 None - 1 Human 6.9 pKd = 6.9 Binding
Binding affinity to Smo D473H mutant expressed in U2OS cells by scintillation countingBinding affinity to Smo D473H mutant expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 1259 58 None - 1 Human 6.9 pKd = 6.9 Binding
Binding affinity to Smo D473H mutant expressed in U2OS cells by scintillation countingBinding affinity to Smo D473H mutant expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
10328 1259 58 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to wild type Smo expressed in U2OS cells by scintillation countingBinding affinity to wild type Smo expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 1259 58 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to wild type Smo expressed in U2OS cells by scintillation countingBinding affinity to wild type Smo expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 1259 58 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to wild type Smo expressed in U2OS cells by scintillation countingBinding affinity to wild type Smo expressed in U2OS cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
147143564 176531 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 416 3 1 4 5.6 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1cccc(Cl)c1 10.1016/j.bmc.2020.115584
CHEMBL4633406 176531 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 416 3 1 4 5.6 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1cccc(Cl)c1 10.1016/j.bmc.2020.115584
156019469 177404 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 468 3 1 4 6.1 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)cc1F 10.1016/j.bmc.2020.115584
CHEMBL4646026 177404 0 None - 1 Human 4.9 pKd = 4.9 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 468 3 1 4 6.1 O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(C(F)(F)F)cc1F 10.1016/j.bmc.2020.115584
24776445 3934 111 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
4227 3934 111 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
6975 3934 111 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
CHEMBL473417 3934 111 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
DB08828 3934 111 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysisBinding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2020.115584
24776445 3934 111 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
4227 3934 111 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
6975 3934 111 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
CHEMBL473417 3934 111 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
DB08828 3934 111 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1021/acs.jmedchem.7b00794
10328 1259 58 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 1259 58 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 1259 58 None - 1 Human 7.9 pKi = 7.9 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
24776445 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
4227 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
6975 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
CHEMBL473417 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
DB08828 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 10.1016/j.bmc.2012.09.030
4269048 63079 7 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 352 4 3 5 1.7 O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 10.1021/acs.jmedchem.7b00794
CHEMBL1796172 63079 7 None - 1 Human 6.8 pKi = 6.8 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 352 4 3 5 1.7 O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 10.1021/acs.jmedchem.7b00794
56846693 74289 60 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 7 2 8 5.9 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC 10.1021/acs.jmedchem.7b00794
CHEMBL2029988 74289 60 None - 1 Human 6.7 pKi = 6.7 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 7 2 8 5.9 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC 10.1021/acs.jmedchem.7b00794
10328 1259 58 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
442972 1259 58 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
CHEMBL254129 1259 58 None - 1 Human 6.6 pKi = 6.6 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1016/j.bmc.2012.09.030
155559226 174272 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4562943 174272 0 None - 1 Human 7.6 pKi = 7.6 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 375 6 0 4 4.0 C#CCOc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 10.1021/acs.jmedchem.9b00283
76848956 174588 25 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 371 4 2 5 4.7 FC(F)(F)Oc1ccc(-c2ccnc(Nc3ccc4[nH]ncc4c3)n2)cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4570165 174588 25 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 371 4 2 5 4.7 FC(F)(F)Oc1ccc(-c2ccnc(Nc3ccc4[nH]ncc4c3)n2)cc1 10.1021/acs.jmedchem.9b00283
97046899 175298 1 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4586057 175298 1 None - 1 Human 7.5 pKi = 7.5 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 314 3 0 2 3.7 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
71458712 81115 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
CHEMBL2160208 81115 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
24901704 94549 75 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL254760 94549 75 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
155549835 173316 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
CHEMBL4539839 173316 0 None - 1 Human 7.4 pKi = 7.4 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 355 4 0 3 4.6 C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1 10.1021/acs.jmedchem.9b00283
447077 141238 65 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 442 4 1 6 5.8 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL386051 141238 65 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 442 4 1 6 5.8 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 10.1021/acs.jmedchem.7b00794
53235510 66285 76 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 10.1021/acs.jmedchem.7b00794
CHEMBL1852688 66285 76 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 10.1021/acs.jmedchem.7b00794
71458712 81115 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
CHEMBL2160208 81115 0 None - 1 Human 6.3 pKi = 6.3 Binding
Displacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from Smo D473H mutant expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 651 9 2 7 6.0 O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1 10.1016/j.bmc.2012.09.030
1048811 159246 8 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 506 5 3 5 3.6 Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1 10.1021/acs.jmedchem.7b00794
CHEMBL4105444 159246 8 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 506 5 3 5 3.6 Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1 10.1021/acs.jmedchem.7b00794
10328 1259 58 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/acs.jmedchem.7b00794
442972 1259 58 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/acs.jmedchem.7b00794
CHEMBL254129 1259 58 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 411 0 2 3 5.0 O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C 10.1021/acs.jmedchem.7b00794
24901704 94549 75 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL254760 94549 75 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 517 6 2 7 5.7 Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1 10.1021/acs.jmedchem.7b00794
155515079 169357 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
CHEMBL4441183 169357 0 None - 1 Human 7.3 pKi = 7.3 Binding
Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysisDisplacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
ChEMBL 321 4 0 3 4.0 C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1 10.1021/acs.jmedchem.9b00283
42642645 16222 72 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
CHEMBL1230609 16222 72 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometryDisplacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
24775005 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
5008 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
8199 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
CHEMBL2105737 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
DB09143 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
ChEMBL 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 10.1016/j.bmc.2012.09.030
42642645 16222 72 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
CHEMBL1230609 16222 72 None - 1 Human 7.2 pKi = 7.2 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 632 12 2 8 5.8 COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 10.1021/acs.jmedchem.7b00794
11485656 84382 103 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 375 3 4 3 4.9 Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 10.1021/acs.jmedchem.7b00794
CHEMBL223360 84382 103 None - 1 Human 7.1 pKi = 7.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
ChEMBL 375 3 4 3 4.9 Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 10.1021/acs.jmedchem.7b00794
10332 2640 0 None - 1 Human 9.5 pKd = 9.5 Binding
Binding of [<sup>3</sup>H]MRT-92 to hSMO.Binding of [<sup>3</sup>H]MRT-92 to hSMO.
Guide to Pharmacology 566 10 4 6 5.8 COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C 25636740
136235465 2640 0 None - 1 Human 9.5 pKd = 9.5 Binding
Binding of [<sup>3</sup>H]MRT-92 to hSMO.Binding of [<sup>3</sup>H]MRT-92 to hSMO.
Guide to Pharmacology 566 10 4 6 5.8 COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C 25636740
CHEMBL4302587 2640 0 None - 1 Human 9.5 pKd = 9.5 Binding
Binding of [<sup>3</sup>H]MRT-92 to hSMO.Binding of [<sup>3</sup>H]MRT-92 to hSMO.
Guide to Pharmacology 566 10 4 6 5.8 COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C 25636740
53235510 66285 76 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
Drug Central 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 None
CHEMBL1852688 66285 76 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation countingDisplacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting
Drug Central 559 8 2 8 5.4 CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 None
24776445 3934 111 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
4227 3934 111 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
6975 3934 111 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
CHEMBL473417 3934 111 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
DB08828 3934 111 None - 1 Human 8.1 pKi = 8.1 Binding
Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation countingDisplacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
Drug Central 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl None
24775005 3582 70 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
5008 3582 70 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
8199 3582 70 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
CHEMBL2105737 3582 70 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
DB09143 3582 70 None - 1 Human 8.1 pKi = 8.1 Binding
NoneNone
Drug Central 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F None
10330 3410 48 None - 1 Mouse 7.7 pKi = 7.7 Binding
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 12391318
6878030 3410 48 None - 1 Mouse 7.7 pKi = 7.7 Binding
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 12391318
CHEMBL515916 3410 48 None - 1 Mouse 7.7 pKi = 7.7 Binding
In Gli-dependent reporter assays in Shh-LIGHT2 cells.In Gli-dependent reporter assays in Shh-LIGHT2 cells.
Guide to Pharmacology 373 5 0 5 3.6 Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1 12391318
24776445 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
4227 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
6975 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
CHEMBL473417 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
DB08828 3934 111 None - 1 Human 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 420 4 1 4 4.7 O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl 23063522
24775005 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
5008 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
8199 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
CHEMBL2105737 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522
DB09143 3582 70 None - 1 Human 8.2 pKi = 8.2 Binding
UnclassifiedUnclassified
Guide to Pharmacology 485 5 1 5 5.8 C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F 23063522