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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 | |
| 2,4-DINITROPHENOL | 98143 | None | 45 | Human | Binding | EC50 | = | 31100.00 | 4.51 | - | 2 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis | ChEMBL | 184.0 | 2 | 1 | 5 | 1.21 | O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1 | https://dx.doi.org/10.1039/C2MD20210G | |
| 3,5-DINITROCATECHOL (OR-486) | 58347 | None | 41 | Human | Binding | EC50 | = | 22000.00 | 4.66 | - | 1 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis | ChEMBL | 200.0 | 2 | 2 | 6 | 0.91 | O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1 | https://dx.doi.org/10.1039/C2MD20210G | |
| 7-DESHYDROXYPYROGALLIN-4-CARBOXYLIC ACID | 198382 | None | 6 | Human | Binding | IC50 | = | 110.00 | 6.96 | - | 1 | Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins | ChEMBL | 248.0 | 1 | 4 | 5 | 1.01 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | https://dx.doi.org/10.1021/ml2003058 | |
| alpha-CYANO-4-HYDROXYCINNAMIC ACID | 207442 | None | 48 | Human | Binding | IC50 | = | 30400.00 | 4.52 | - | 1 | Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins | ChEMBL | 189.0 | 2 | 2 | 3 | 1.38 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | https://dx.doi.org/10.1021/ml2003058 | |
| AMLEXANOX | 8735 | None | 73 | Human | Binding | EC50 | = | 4000.00 | 5.40 | - | 3 | Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay | ChEMBL | 298.1 | 2 | 2 | 5 | 2.75 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | https://dx.doi.org/10.1021/acs.jmedchem.6b01431 | |
| BAICALEIN | 208190 | None | 72 | Human | Binding | IC50 | = | 28200.00 | 4.55 | - | 1 | Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins | ChEMBL | 270.1 | 1 | 3 | 5 | 2.58 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | https://dx.doi.org/10.1021/ml2003058 | |
| CHEMBL107513 | 5471 | None | 25 | Human | Binding | EC50 | = | 52600.00 | 4.28 | - | 1 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis | ChEMBL | 184.0 | 2 | 1 | 5 | 1.21 | O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1 | https://dx.doi.org/10.1039/C2MD20210G | |
| CHEMBL1256291 | 17196 | None | 28 | Human | Binding | EC50 | = | 54400.00 | 4.26 | - | 2 | Agonist activity at GPR35 in human U2OS cells assessed as induction of beta-arrestin translocation after 5 hrs by beta-lactamase reporter gene assay | ChEMBL | 277.0 | 3 | 2 | 5 | 2.38 | O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F | https://dx.doi.org/10.1039/C2MD20210G | |
| CHEMBL1256291 | 17196 | None | 28 | Human | Binding | EC50 | = | 8660.00 | 5.06 | - | 2 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis | ChEMBL | 277.0 | 3 | 2 | 5 | 2.38 | O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F | https://dx.doi.org/10.1039/C2MD20210G | |
| CHEMBL1368962 | 27526 | None | 29 | Human | Binding | EC50 | = | 550.00 | 6.26 | - | 3 | Antagonist activity at human N-terminal HA-tagged GPR35a expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition of agonist induced redistribution of GFP-fused beta arrestin-2 preincubated for 15 mins followed by agonist addition by fluorescence assay | ChEMBL | 523.1 | 6 | 1 | 6 | 5.97 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | https://dx.doi.org/10.1016/j.bmcl.2016.12.012 | |
| CHEMBL1368962 | 27526 | None | 29 | Human | Binding | IC50 | = | 4560.00 | 5.34 | - | 3 | Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition of zaprinast induced effect | ChEMBL | 523.1 | 6 | 1 | 6 | 5.97 | O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | https://dx.doi.org/10.1016/j.bmcl.2016.12.012 | |
| CHEMBL1384502 | 29474 | None | 32 | Human | Binding | IC50 | = | 522.00 | 6.28 | - | 2 | Antagonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment assay | ChEMBL | 482.1 | 8 | 3 | 6 | 4.66 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | https://dx.doi.org/10.1021/jm4009373 | |
| CHEMBL1384502 | 29474 | None | 32 | Human | Binding | Ki | = | 8.76 | 8.06 | - | 2 | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis | ChEMBL | 482.1 | 8 | 3 | 6 | 4.66 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | https://dx.doi.org/10.1021/jm4009373 | |
| CHEMBL1384502 | 29474 | None | 32 | Human | Binding | IC50 | = | 27.00 | 7.57 | - | 2 | Antagonist activity at human Gal4-VP16 fused GPR35 expressed in human U2OS cells assessed as beta arrestin translocation by reporter gene assay | ChEMBL | 482.1 | 8 | 3 | 6 | 4.66 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | https://dx.doi.org/10.1021/jm4009373 | |
| CHEMBL1384502 | 29474 | None | 32 | Human | Binding | Ki | = | 4.00 | 8.40 | - | 2 | Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incubated for 30 mins followed by substrate addition by in presence of 10-(4-(2-(4-(4-((2,8-dicarboxy-6-hydroxy-10-methylpyrido[3,2-g]quinolin-4-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)ethoxy)phenyl)-5,5-difluoro-2,7,9-trimethyl-5H-imidazo[1,2-c]pyrrolo[2,1-f][1,3,2]diazaborinin-6-ium-5-uide | ChEMBL | 482.1 | 8 | 3 | 6 | 4.66 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | https://dx.doi.org/10.1021/acsmedchemlett.2c00461 | |
| CHEMBL1384502 | 29474 | None | 32 | Human | Binding | IC50 | = | 27.00 | 7.57 | - | 2 | Antagonist activity at GPR-35 (unknown origin) by beta-arrestin assay | ChEMBL | 482.1 | 8 | 3 | 6 | 4.66 | CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 | https://dx.doi.org/10.1021/acsmedchemlett.2c00461 | |
| CHEMBL1414071 | 32788 | None | 45 | Human | Binding | EC50 | = | 13520.00 | 4.87 | - | 1 | Agonist activity at GPR35 in human HT-29 cells by DMR assay | ChEMBL | 224.0 | 1 | 1 | 3 | 2.15 | O=C(O)c1cc2cc(Cl)ccc2oc1=O | https://dx.doi.org/10.1021/acs.jmedchem.6b01431 | |
| CHEMBL1414071 | 32788 | None | 45 | Human | Binding | IC50 | = | 13240.00 | 4.88 | - | 1 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zaprinast stimulation measured after 8 minutes by DMR assay | ChEMBL | 224.0 | 1 | 1 | 3 | 2.15 | O=C(O)c1cc2cc(Cl)ccc2oc1=O | https://dx.doi.org/10.1021/acs.jmedchem.6b01431 | |
| CHEMBL1490915 | 41511 | None | 4 | Human | Binding | IC50 | = | 7230.00 | 5.14 | - | 2 | Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition of zaprinast induced effect | ChEMBL | 489.1 | 6 | 1 | 6 | 5.31 | O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 | https://dx.doi.org/10.1016/j.bmcl.2016.12.012 | |
| CHEMBL1600989 | 53468 | None | 35 | Human | Binding | IC50 | = | 2300.00 | 5.64 | - | 1 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zaprinast stimulation measured after 8 minutes by DMR assay | ChEMBL | 257.9 | 1 | 1 | 3 | 2.80 | O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O | https://dx.doi.org/10.1021/acs.jmedchem.6b01431 | |
Showing 1 to 20 of 396 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 | |
| 2-oleoyl-LPA | 85 | None | 0 | Human | Functional | pEC50 | = | - | 7.41 | -3 | 4 | Unclassified | Guide to Pharmacology | 436.3 | 20 | 3 | 5 | 5.04 | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)O | https://pubmed.ncbi.nlm.nih.gov/20361937 | |
| 7-DESHYDROXYPYROGALLIN-4-CARBOXYLIC ACID | 198382 | None | 6 | Human | Functional | EC50 | = | 54.00 | 7.27 | - | 1 | Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | ChEMBL | 248.0 | 1 | 4 | 5 | 1.01 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | https://dx.doi.org/10.1021/ml2003058 | |
| 7-DESHYDROXYPYROGALLIN-4-CARBOXYLIC ACID | 198382 | None | 6 | Human | Functional | EC50 | = | 12400.00 | 4.91 | - | 1 | Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay | ChEMBL | 248.0 | 1 | 4 | 5 | 1.01 | O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 | https://dx.doi.org/10.1021/ml2003058 | |
| A77636 | 208 | None | 8 | Human | Functional | IC50 | = | 3155.17 | 5.50 | -1047 | 27 | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR35 | ChEMBL | 329.2 | 2 | 3 | 4 | 3.25 | NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O | https://dx.doi.org/10.6019/CHEMBL5442687 | |
| alpha-CYANO-4-HYDROXYCINNAMIC ACID | 207442 | None | 48 | Human | Functional | EC50 | = | 9800.00 | 5.01 | - | 1 | Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | ChEMBL | 189.0 | 2 | 2 | 3 | 1.38 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | https://dx.doi.org/10.1021/ml2003058 | |
| alpha-CYANO-4-HYDROXYCINNAMIC ACID | 207442 | None | 48 | Human | Functional | EC50 | = | 70700.00 | 4.15 | - | 1 | Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay | ChEMBL | 189.0 | 2 | 2 | 3 | 1.38 | N#C/C(=C\c1ccc(O)cc1)C(=O)O | https://dx.doi.org/10.1021/ml2003058 | |
| AMLEXANOX | 8735 | None | 73 | Human | Functional | pEC50 | = | 5.40 | 8.27 | 154 | 3 | Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay | Drug Central | 298.1 | 2 | 2 | 5 | 2.75 | CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 | - | |
| aprepitant | 448 | None | 58 | Human | Functional | IC50 | = | 6238.53 | 5.21 | -26302 | 8 | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR35 | ChEMBL | 534.1 | 6 | 2 | 5 | 4.95 | C[C@@H](O[C@H]1OCCN(Cc2nc(=O)[nH][nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | https://dx.doi.org/10.6019/CHEMBL5442687 | |
| BAICALEIN | 208190 | None | 72 | Human | Functional | EC50 | = | 10300.00 | 4.99 | - | 1 | Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | ChEMBL | 270.1 | 1 | 3 | 5 | 2.58 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | https://dx.doi.org/10.1021/ml2003058 | |
| BAICALEIN | 208190 | None | 72 | Human | Functional | EC50 | = | 22700.00 | 4.64 | - | 1 | Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay | ChEMBL | 270.1 | 1 | 3 | 5 | 2.58 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | https://dx.doi.org/10.1021/ml2003058 | |
| BUFROLIN | 43422 | None | 23 | Human | Functional | EC50 | = | 13.00 | 7.89 | - | 1 | Agonist activity at human GPR35 receptor expressed in HEK293T cells co-expressing beta-arrestin2 assessed as induction of beta-arrestin2 recruitment by BRET assay | ChEMBL | 356.1 | 5 | 4 | 4 | 2.11 | CCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12 | https://dx.doi.org/10.1021/acs.jmedchem.0c01624 | |
| BUFROLIN | 43422 | None | 23 | Human | Functional | EC50 | = | 13.00 | 7.89 | - | 1 | Agonist activity at human GPR35 by beta-arrestin recruitment assay | ChEMBL | 356.1 | 5 | 4 | 4 | 2.11 | CCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12 | https://dx.doi.org/10.1016/j.bmc.2023.117511 | |
| bumetanide | 739 | None | 56 | Human | Functional | pEC50 | = | - | 5.27 | 18 | 3 | Unclassified | Guide to Pharmacology | 364.1 | 8 | 3 | 5 | 3.04 | CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1 | https://pubmed.ncbi.nlm.nih.gov/22236570 | |
| bumetanide | 739 | None | 56 | Human | Functional | pEC50 | = | 5.54 | 8.26 | 18 | 3 | None | Drug Central | 364.1 | 8 | 3 | 5 | 3.04 | CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1 | - | |
| BX 471 | 758 | None | 42 | Human | Functional | IC50 | = | 1069.98 | 5.97 | -158 | 5 | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR35 | ChEMBL | 434.2 | 6 | 2 | 4 | 3.08 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O | https://dx.doi.org/10.6019/CHEMBL5442687 | |
| CHEMBL103769 | 4750 | None | 24 | Human | Functional | IC50 | = | 6025.61 | 5.22 | -213 | 29 | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR35 | ChEMBL | 554.0 | 11 | 3 | 4 | 5.37 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | https://dx.doi.org/10.6019/CHEMBL5442687 | |
| CHEMBL1173787 | 11007 | None | 59 | Human | Functional | EC50 | = | 42400.00 | 4.37 | - | 1 | Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay | ChEMBL | 184.0 | 1 | 1 | 3 | 2.66 | O=C(O)c1cc2sccc2s1 | https://dx.doi.org/10.1021/jm200999f | |
| CHEMBL1173787 | 11007 | None | 59 | Human | Functional | IC50 | = | 57000.00 | 4.24 | - | 1 | Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution assay | ChEMBL | 184.0 | 1 | 1 | 3 | 2.66 | O=C(O)c1cc2sccc2s1 | https://dx.doi.org/10.1021/jm200999f | |
| CHEMBL1300169 | 19606 | None | 2 | Human | Functional | IC50 | = | 701.49 | 6.15 | - | 1 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High content imaging assay of the inhibition of receptor-mediated beta-arrestin GFP translocation to cytosolic compartments Secondary Screen (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2079, AID2397, AID2480, AID463201, AID463202, AID463217, AID463227, AID463228, AID488987] | ChEMBL | 370.1 | 5 | 1 | 5 | 4.34 | CCOc1ccc(N(C)c2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 | - | |
| CHEMBL1303807 | 20072 | None | 6 | Human | Functional | IC50 | = | 650.60 | 6.19 | 15 | 2 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High content imaging assay of the inhibition of receptor-mediated beta-arrestin GFP translocation to cytosolic compartments Secondary Screen (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2079, AID2397, AID2480, AID463201, AID463202, AID463217, AID463227, AID463228, AID488987] | ChEMBL | 337.1 | 4 | 1 | 3 | 3.01 | CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1 | - | |
Showing 1 to 20 of 603 entries