Ligand source activities (1 row/activity)
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
ANTA XV | 428 | None | 18 | Human | Binding | IC50 | = | 8.00 | 8.10 | - | 2 | 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 assay | ChEMBL | 439.2 | 5 | 1 | 6 | 4.17 | CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 | https://dx.doi.org/10.1021/jm900309j | |
ANTA XV | 428 | None | 18 | Mouse | Binding | IC50 | = | 35.00 | 7.46 | - | 2 | 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 assay | ChEMBL | 439.2 | 5 | 1 | 6 | 4.17 | CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 | https://dx.doi.org/10.1021/jm900309j | |
ANTA XV | 428 | None | 18 | Mouse | Binding | IC50 | = | 5.00 | 8.30 | - | 2 | 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 assay | ChEMBL | 439.2 | 5 | 1 | 6 | 4.17 | CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 | https://dx.doi.org/10.1021/jm900309j | |
ANTA XV | 428 | None | 18 | Mouse | Binding | IC50 | = | 2.70 | 8.57 | - | 2 | 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 assay | ChEMBL | 439.2 | 5 | 1 | 6 | 4.17 | CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 | https://dx.doi.org/10.1021/jm900309j | |
AZD8542 | 556 | None | 8 | Human | Binding | IC50 | = | 0.20 | 9.70 | - | 2 | Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay | ChEMBL | 412.2 | 6 | 1 | 5 | 4.93 | Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 | https://dx.doi.org/10.1016/j.bmc.2019.115227 | |
AZD8542 | 556 | None | 8 | Human | Binding | EC50 | = | 1.50 | 8.82 | - | 2 | Binding affinity to human SMO | ChEMBL | 412.2 | 6 | 1 | 5 | 4.93 | Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 | https://dx.doi.org/10.1016/j.bmc.2019.115227 | |
AZD8542 | 556 | None | 8 | Mouse | Binding | EC50 | = | 3.10 | 8.51 | - | 2 | Binding affinity to mouse SMO | ChEMBL | 412.2 | 6 | 1 | 5 | 4.93 | Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 | https://dx.doi.org/10.1016/j.bmc.2019.115227 | |
AZD8542 | 556 | None | 8 | Mouse | Binding | EC50 | = | 2.60 | 8.59 | - | 2 | 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 hrs | ChEMBL | 412.2 | 6 | 1 | 5 | 4.93 | Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 | https://dx.doi.org/10.1016/j.bmc.2019.115227 | |
CEP-32496 | 74664 | None | 50 | Human | Binding | Ki | = | 187.80 | 6.73 | - | 1 | Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting | ChEMBL | 517.2 | 7 | 2 | 8 | 5.91 | COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC | https://dx.doi.org/10.1021/acs.jmedchem.7b00794 | |
CHEMBL1082386 | 6423 | None | 0 | Human | Binding | IC50 | = | 212.00 | 6.67 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 419.2 | 3 | 0 | 5 | 4.13 | N#Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1082387 | 6424 | None | 0 | Human | Binding | IC50 | = | 15.00 | 7.82 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 408.2 | 3 | 0 | 4 | 4.57 | Cc1ccccc1-c1nnc(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1082396 | 6427 | None | 0 | Human | Binding | IC50 | = | 20.30 | 7.69 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 428.1 | 3 | 0 | 4 | 4.91 | O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1082713 | 6500 | None | 0 | Human | Binding | IC50 | = | 110.00 | 6.96 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 409.2 | 3 | 0 | 5 | 4.04 | C[C@H]1CN(c2nnc(-c3ccccn3)c3ccccc23)CCN1C(=O)c1ccccc1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1082790 | 6524 | None | 8 | Human | Binding | IC50 | = | 91.00 | 7.04 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 332.2 | 2 | 0 | 4 | 2.96 | CC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1082791 | 6525 | None | 6 | Human | Binding | IC50 | = | 19.00 | 7.72 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 394.2 | 3 | 0 | 4 | 4.26 | O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1082967 | 6552 | None | 0 | Human | Binding | IC50 | = | 96.00 | 7.02 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 409.2 | 3 | 0 | 5 | 4.04 | C[C@H]1CN(c2nnc(-c3ccncc3)c3ccccc23)CCN1C(=O)c1ccccc1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1083103 | 6594 | None | 10 | Human | Binding | IC50 | = | 13.00 | 7.89 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 384.2 | 3 | 0 | 5 | 3.85 | O=C(c1ccco1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1083104 | 6595 | None | 0 | Human | Binding | IC50 | = | 9.50 | 8.02 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 401.1 | 3 | 0 | 6 | 3.72 | O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1083284 | 6620 | None | 0 | Human | Binding | IC50 | = | 3.20 | 8.49 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 422.2 | 3 | 0 | 4 | 4.96 | Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 | |
CHEMBL1083285 | 6621 | None | 0 | Human | Binding | IC50 | = | 7.00 | 8.15 | - | 1 | Inhibition of human SMO expressed in HEPM cells | ChEMBL | 442.2 | 3 | 0 | 4 | 5.30 | C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CCN1C(=O)c1ccccc1 | https://dx.doi.org/10.1016/j.bmcl.2010.04.110 |
Showing 1 to 20 of 1,263 entries
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
ANTA XV | 428 | None | 18 | Mouse | Functional | pIC50 | = | - | 8.15 | 1 | 2 | Gli-luc reporter assay. | Guide to Pharmacology | 439.2 | 5 | 1 | 6 | 4.17 | CC(C)(O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 | https://pubmed.ncbi.nlm.nih.gov/27180012 | |
AZD8542 | 556 | None | 8 | Human | Functional | pIC50 | = | - | 8.52 | 2 | 2 | Unclassified | Guide to Pharmacology | 412.2 | 6 | 1 | 5 | 4.93 | Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 | - | |
AZD8542 | 556 | None | 8 | Mouse | Functional | pIC50 | = | - | 8.82 | -2 | 2 | Unclassified | Guide to Pharmacology | 412.2 | 6 | 1 | 5 | 4.93 | Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 | - | |
CHEMBL1082791 | 6525 | None | 6 | Human | Functional | IC50 | = | 19.00 | 7.72 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 394.2 | 3 | 0 | 4 | 4.26 | O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1084734 | 7005 | None | 0 | Human | Functional | IC50 | = | 2.70 | 8.57 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 438.2 | 4 | 1 | 5 | 4.14 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1084737 | 7007 | None | 0 | Human | Functional | IC50 | = | 5.30 | 8.28 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 451.2 | 4 | 0 | 5 | 4.71 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N(C)C)cc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1084738 | 7008 | None | 0 | Human | Functional | IC50 | = | 2.80 | 8.55 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 476.2 | 3 | 0 | 4 | 5.67 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1084835 | 7037 | None | 0 | Human | Functional | IC50 | = | 2.20 | 8.66 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 408.2 | 3 | 0 | 4 | 4.65 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1084836 | 7038 | None | 0 | Human | Functional | IC50 | = | 17.00 | 7.77 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 462.1 | 3 | 0 | 4 | 5.57 | O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1086048 | 7298 | None | 0 | Human | Functional | IC50 | = | 5.30 | 8.28 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 408.2 | 3 | 0 | 4 | 4.65 | C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209074 | 14999 | None | 0 | Human | Functional | IC50 | = | 12.00 | 7.92 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 426.2 | 3 | 0 | 4 | 4.79 | C[C@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(F)cc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209132 | 15006 | None | 0 | Human | Functional | IC50 | = | 19.00 | 7.72 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 451.2 | 4 | 1 | 5 | 3.75 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(N)=O)cc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209133 | 15007 | None | 0 | Human | Functional | IC50 | = | 21.00 | 7.68 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 493.2 | 4 | 0 | 6 | 4.48 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(N3CCOCC3)cc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209189 | 15019 | None | 0 | Human | Functional | IC50 | = | 3.30 | 8.48 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 466.2 | 4 | 0 | 6 | 4.57 | CC(=O)Oc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209190 | 15020 | None | 0 | Human | Functional | IC50 | = | 4.80 | 8.32 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 465.2 | 5 | 1 | 5 | 3.68 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CC(N)=O)cc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209248 | 15032 | None | 0 | Human | Functional | IC50 | = | 25.00 | 7.60 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 409.2 | 3 | 0 | 5 | 4.04 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccncc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209249 | 15033 | None | 0 | Human | Functional | IC50 | = | 79.00 | 7.10 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 409.2 | 3 | 0 | 5 | 4.04 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2cccnc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209250 | 15034 | None | 0 | Human | Functional | IC50 | = | 57.00 | 7.24 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 409.2 | 3 | 0 | 5 | 4.04 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209251 | 15035 | None | 0 | Human | Functional | IC50 | = | 8.70 | 8.06 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 397.2 | 3 | 0 | 5 | 3.77 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2cccc2)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 | |
CHEMBL1209314 | 15044 | None | 0 | Human | Functional | IC50 | = | 8.00 | 8.10 | - | 1 | Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay | ChEMBL | 447.2 | 3 | 0 | 5 | 4.92 | C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2ccc3ccccc32)c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2010.06.006 |
Showing 1 to 20 of 285 entries