Found 59 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019479
(CHEMBL3290713)Show SMILES Cc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C25H22N4O3/c1-16-19-14-18(8-9-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019509
(CHEMBL3290728)Show SMILES CCOC(=O)CNC(=O)c1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C31H27ClN4O7/c1-2-41-28(37)16-34-29(38)22-17-42-27-14-23(32)20(13-19(22)27)31(40)43-26-9-10-33-15-21(26)30(39)36-12-11-35(18-7-8-18)24-5-3-4-6-25(24)36/h3-6,9-10,13-15,17-18H,2,7-8,11-12,16H2,1H3,(H,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019495
(CHEMBL3290734)Show SMILES Cc1c(\C=C\C(=O)NCC(O)=O)oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12 Show InChI InChI=1S/C32H27ClN4O7/c1-18-24(10-11-27(38)35-17-28(39)40)43-26-9-8-21(33)30(29(18)26)32(42)44-25-12-13-34-16-20(25)31(41)37-15-14-36(19-6-7-19)22-4-2-3-5-23(22)37/h2-5,8-13,16,19H,6-7,14-15,17H2,1H3,(H,35,38)(H,39,40)/b11-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019498
(CHEMBL3290700)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2ccccc12 Show InChI InChI=1S/C27H23N3O2/c31-27(30-17-16-29(20-12-13-20)23-9-3-4-10-24(23)30)22-18-28-15-14-26(22)32-25-11-5-7-19-6-1-2-8-21(19)25/h1-11,14-15,18,20H,12-13,16-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019494
(CHEMBL3290706)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2occc2c1 Show InChI InChI=1S/C25H21N3O3/c29-25(28-13-12-27(18-5-6-18)21-3-1-2-4-22(21)28)20-16-26-11-9-24(20)31-19-7-8-23-17(15-19)10-14-30-23/h1-4,7-11,14-16,18H,5-6,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019488
(CHEMBL3290721)Show SMILES CCOC(=O)Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C29H26ClN3O5/c1-2-36-28(34)13-18-17-37-26-15-22(30)27(14-20(18)26)38-25-9-10-31-16-21(25)29(35)33-12-11-32(19-7-8-19)23-5-3-4-6-24(23)33/h3-6,9-10,14-17,19H,2,7-8,11-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019497
(CHEMBL3290711)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2sccc2c1 Show InChI InChI=1S/C25H21N3O2S/c29-25(28-13-12-27(18-5-6-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)30-19-7-8-24-17(15-19)10-14-31-24/h1-4,7-11,14-16,18H,5-6,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019496
(CHEMBL3290712)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ncsc2c1 Show InChI InChI=1S/C24H20N4O2S/c29-24(28-12-11-27(16-5-6-16)20-3-1-2-4-21(20)28)18-14-25-10-9-22(18)30-17-7-8-19-23(13-17)31-15-26-19/h1-4,7-10,13-16H,5-6,11-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019508
(CHEMBL3290725)Show SMILES OC(=O)Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C27H22ClN3O5/c28-20-13-24-18(16(15-35-24)11-26(32)33)12-25(20)36-23-7-8-29-14-19(23)27(34)31-10-9-30(17-5-6-17)21-3-1-2-4-22(21)31/h1-4,7-8,12-15,17H,5-6,9-11H2,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019464
(CHEMBL3290722)Show SMILES COC(=O)CCc1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C30H26ClN3O6/c1-38-28(35)9-6-18-17-39-27-15-23(31)21(14-20(18)27)30(37)40-26-10-11-32-16-22(26)29(36)34-13-12-33(19-7-8-19)24-4-2-3-5-25(24)34/h2-5,10-11,14-17,19H,6-9,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019468
(CHEMBL3290709)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2[nH]ccc12 Show InChI InChI=1S/C25H22N4O2/c30-25(29-15-14-28(17-8-9-17)21-5-1-2-6-22(21)29)19-16-26-12-11-24(19)31-23-7-3-4-20-18(23)10-13-27-20/h1-7,10-13,16-17,27H,8-9,14-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019469
(CHEMBL3290710)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2cc[nH]c2c1 Show InChI InChI=1S/C25H22N4O2/c30-25(29-14-13-28(18-6-7-18)22-3-1-2-4-23(22)29)20-16-26-11-10-24(20)31-19-8-5-17-9-12-27-21(17)15-19/h1-5,8-12,15-16,18,27H,6-7,13-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 162 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019474
(CHEMBL3290717)Show SMILES Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C26H22ClN3O3/c1-16-15-32-24-13-20(27)25(12-18(16)24)33-23-8-9-28-14-19(23)26(31)30-11-10-29(17-6-7-17)21-4-2-3-5-22(21)30/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019490
(CHEMBL3290733)Show SMILES CCOC(=O)CNC(=O)\C=C\c1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C33H31ClN4O6/c1-3-42-30(40)19-36-29(39)13-12-26-20(2)31-28(43-26)11-10-23(34)32(31)44-27-14-15-35-18-22(27)33(41)38-17-16-37(21-8-9-21)24-6-4-5-7-25(24)38/h4-7,10-15,18,21H,3,8-9,16-17,19H2,1-2H3,(H,36,39)/b13-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019496
(CHEMBL3290712)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ncsc2c1 Show InChI InChI=1S/C24H20N4O2S/c29-24(28-12-11-27(16-5-6-16)20-3-1-2-4-21(20)28)18-14-25-10-9-22(18)30-17-7-8-19-23(13-17)31-15-26-19/h1-4,7-10,13-16H,5-6,11-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019466
(CHEMBL3290736)Show SMILES Cc1c(CCC(O)=O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12 Show InChI InChI=1S/C29H26ClN3O5/c1-17-23(10-11-26(34)35)37-25-9-8-20(30)28(27(17)25)38-24-12-13-31-16-19(24)29(36)33-15-14-32(18-6-7-18)21-4-2-3-5-22(21)33/h2-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,1H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019506
(CHEMBL3290703)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ncccc2c1 Show InChI InChI=1S/C26H22N4O2/c31-26(30-15-14-29(19-7-8-19)23-5-1-2-6-24(23)30)21-17-27-13-11-25(21)32-20-9-10-22-18(16-20)4-3-12-28-22/h1-6,9-13,16-17,19H,7-8,14-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019507
(CHEMBL3290708)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C25H22N4O2/c30-25(29-14-13-28(18-5-6-18)22-3-1-2-4-23(22)29)20-16-26-11-10-24(20)31-19-7-8-21-17(15-19)9-12-27-21/h1-4,7-12,15-16,18,27H,5-6,13-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019462
(CHEMBL3290735)Show SMILES CCOC(=O)CCc1oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C32H30ClN3O6/c1-3-40-28(37)13-12-25-19(2)29-27(41-25)11-10-22(33)30(29)32(39)42-26-14-15-34-18-21(26)31(38)36-17-16-35(20-8-9-20)23-6-4-5-7-24(23)36/h4-7,10-11,14-15,18,20H,3,8-9,12-13,16-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019498
(CHEMBL3290700)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2ccccc12 Show InChI InChI=1S/C27H23N3O2/c31-27(30-17-16-29(20-12-13-20)23-9-3-4-10-24(23)30)22-18-28-15-14-26(22)32-25-11-5-7-19-6-1-2-8-21(19)25/h1-11,14-15,18,20H,12-13,16-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 66 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019463
(CHEMBL3290727)Show SMILES CCOC(=O)CNC(=O)c1oc2cc(Cl)c(cc2c1C)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C32H29ClN4O7/c1-3-42-28(38)17-35-30(39)29-18(2)20-14-21(23(33)15-27(20)43-29)32(41)44-26-10-11-34-16-22(26)31(40)37-13-12-36(19-8-9-19)24-6-4-5-7-25(24)37/h4-7,10-11,14-16,19H,3,8-9,12-13,17H2,1-2H3,(H,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 78 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019488
(CHEMBL3290721)Show SMILES CCOC(=O)Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C29H26ClN3O5/c1-2-36-28(34)13-18-17-37-26-15-22(30)27(14-20(18)26)38-25-9-10-31-16-21(25)29(35)33-12-11-32(19-7-8-19)23-5-3-4-6-24(23)33/h3-6,9-10,14-17,19H,2,7-8,11-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019479
(CHEMBL3290713)Show SMILES Cc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C25H22N4O3/c1-16-19-14-18(8-9-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019497
(CHEMBL3290711)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2sccc2c1 Show InChI InChI=1S/C25H21N3O2S/c29-25(28-13-12-27(18-5-6-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)30-19-7-8-24-17(15-19)10-14-31-24/h1-4,7-11,14-16,18H,5-6,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019499
(CHEMBL3290732)Show SMILES Cc1c(\C=C\C(O)=O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12 Show InChI InChI=1S/C29H24ClN3O5/c1-17-23(10-11-26(34)35)37-25-9-8-20(30)28(27(17)25)38-24-12-13-31-16-19(24)29(36)33-15-14-32(18-6-7-18)21-4-2-3-5-22(21)33/h2-5,8-13,16,18H,6-7,14-15H2,1H3,(H,34,35)/b11-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019503
(CHEMBL3290701)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ccccc2c1 Show InChI InChI=1S/C27H23N3O2/c31-27(30-16-15-29(21-10-11-21)24-7-3-4-8-25(24)30)23-18-28-14-13-26(23)32-22-12-9-19-5-1-2-6-20(19)17-22/h1-9,12-14,17-18,21H,10-11,15-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019470
(CHEMBL3290705)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2cccnc12 Show InChI InChI=1S/C26H22N4O2/c31-26(30-16-15-29(19-10-11-19)21-7-1-2-8-22(21)30)20-17-27-14-12-23(20)32-24-9-3-5-18-6-4-13-28-25(18)24/h1-9,12-14,17,19H,10-11,15-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 178 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019471
(CHEMBL3290714)Show SMILES Cc1noc2cc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)ccc12 Show InChI InChI=1S/C25H22N4O3/c1-16-19-9-8-18(14-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019472
(CHEMBL3290729)Show SMILES CCOC(=O)CNC(=O)Cc1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C32H29ClN4O7/c1-2-42-30(39)17-35-29(38)13-19-18-43-28-15-24(33)22(14-21(19)28)32(41)44-27-9-10-34-16-23(27)31(40)37-12-11-36(20-7-8-20)25-5-3-4-6-26(25)37/h3-6,9-10,14-16,18,20H,2,7-8,11-13,17H2,1H3,(H,35,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 520 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019500
(CHEMBL3290707)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ccoc2c1 Show InChI InChI=1S/C25H21N3O3/c29-25(28-13-12-27(18-6-7-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)31-19-8-5-17-10-14-30-24(17)15-19/h1-5,8-11,14-16,18H,6-7,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019495
(CHEMBL3290734)Show SMILES Cc1c(\C=C\C(=O)NCC(O)=O)oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12 Show InChI InChI=1S/C32H27ClN4O7/c1-18-24(10-11-27(38)35-17-28(39)40)43-26-9-8-21(33)30(29(18)26)32(42)44-25-12-13-34-16-20(25)31(41)37-15-14-36(19-6-7-19)22-4-2-3-5-23(22)37/h2-5,8-13,16,19H,6-7,14-15,17H2,1H3,(H,35,38)(H,39,40)/b11-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019500
(CHEMBL3290707)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ccoc2c1 Show InChI InChI=1S/C25H21N3O3/c29-25(28-13-12-27(18-6-7-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)31-19-8-5-17-10-14-30-24(17)15-19/h1-5,8-11,14-16,18H,6-7,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019465
(CHEMBL3290737)Show SMILES CCOC(=O)CNC(=O)CCc1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C33H33ClN4O6/c1-3-42-30(40)19-36-29(39)13-12-26-20(2)31-28(43-26)11-10-23(34)32(31)44-27-14-15-35-18-22(27)33(41)38-17-16-37(21-8-9-21)24-6-4-5-7-25(24)38/h4-7,10-11,14-15,18,21H,3,8-9,12-13,16-17,19H2,1-2H3,(H,36,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019467
(CHEMBL3290730)Show SMILES CCOC(=O)CNC(=O)CCc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C32H31ClN4O6/c1-2-41-31(39)18-35-30(38)10-7-20-19-42-28-16-24(33)29(15-22(20)28)43-27-11-12-34-17-23(27)32(40)37-14-13-36(21-8-9-21)25-5-3-4-6-26(25)37/h3-6,11-12,15-17,19,21H,2,7-10,13-14,18H2,1H3,(H,35,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 119 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019478
(CHEMBL3290715)Show SMILES Clc1cc2occc2cc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C25H20ClN3O3/c26-19-14-23-16(8-12-31-23)13-24(19)32-22-7-9-27-15-18(22)25(30)29-11-10-28(17-5-6-17)20-3-1-2-4-21(20)29/h1-4,7-9,12-15,17H,5-6,10-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019485
(CHEMBL3290720)Show SMILES CCOC(=O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C28H24ClN3O5/c1-2-35-28(34)20-16-36-25-14-21(29)26(13-18(20)25)37-24-9-10-30-15-19(24)27(33)32-12-11-31(17-7-8-17)22-5-3-4-6-23(22)32/h3-6,9-10,13-17H,2,7-8,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019486
(CHEMBL3286440)Show SMILES CC(=O)c1cc(ccc1O)C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C20H20N2O3/c1-13(23)16-12-14(6-9-19(16)24)20(25)22-11-10-21(15-7-8-15)17-4-2-3-5-18(17)22/h2-6,9,12,15,24H,7-8,10-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019475
(CHEMBL3290716)Show SMILES Cc1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C26H23N3O3/c1-17-16-31-24-9-8-19(14-20(17)24)32-25-10-11-27-15-21(25)26(30)29-13-12-28(18-6-7-18)22-4-2-3-5-23(22)29/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019490
(CHEMBL3290733)Show SMILES CCOC(=O)CNC(=O)\C=C\c1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C33H31ClN4O6/c1-3-42-30(40)19-36-29(39)13-12-26-20(2)31-28(43-26)11-10-23(34)32(31)44-27-14-15-35-18-22(27)33(41)38-17-16-37(21-8-9-21)24-6-4-5-7-25(24)38/h4-7,10-15,18,21H,3,8-9,16-17,19H2,1-2H3,(H,36,39)/b13-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019493
(CHEMBL3290731)Show SMILES CCOC(=O)\C=C\c1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C31H28ClN3O5/c1-3-38-28(36)13-12-25-19(2)29-27(39-25)11-10-22(32)30(29)40-26-14-15-33-18-21(26)31(37)35-17-16-34(20-8-9-20)23-6-4-5-7-24(23)35/h4-7,10-15,18,20H,3,8-9,16-17H2,1-2H3/b13-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019478
(CHEMBL3290715)Show SMILES Clc1cc2occc2cc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C25H20ClN3O3/c26-19-14-23-16(8-12-31-23)13-24(19)32-22-7-9-27-15-18(22)25(30)29-11-10-28(17-5-6-17)20-3-1-2-4-21(20)29/h1-4,7-9,12-15,17H,5-6,10-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019462
(CHEMBL3290735)Show SMILES CCOC(=O)CCc1oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C32H30ClN3O6/c1-3-40-28(37)13-12-25-19(2)29-27(41-25)11-10-22(33)30(29)32(39)42-26-14-15-34-18-21(26)31(38)36-17-16-35(20-8-9-20)23-6-4-5-7-24(23)36/h4-7,10-11,14-15,18,20H,3,8-9,12-13,16-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019501
(CHEMBL3290719)Show SMILES CCOC(=O)c1oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc2c1C Show InChI InChI=1S/C29H26ClN3O5/c1-3-36-29(35)27-17(2)19-14-26(21(30)15-25(19)38-27)37-24-10-11-31-16-20(24)28(34)33-13-12-32(18-8-9-18)22-6-4-5-7-23(22)33/h4-7,10-11,14-16,18H,3,8-9,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019485
(CHEMBL3290720)Show SMILES CCOC(=O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C28H24ClN3O5/c1-2-35-28(34)20-16-36-25-14-21(29)26(13-18(20)25)37-24-9-10-30-15-19(24)27(33)32-12-11-31(17-7-8-17)22-5-3-4-6-23(22)32/h3-6,9-10,13-17H,2,7-8,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019502
(CHEMBL3290702)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2ncccc12 Show InChI InChI=1S/C26H22N4O2/c31-26(30-16-15-29(18-10-11-18)22-7-1-2-8-23(22)30)20-17-27-14-12-25(20)32-24-9-3-6-21-19(24)5-4-13-28-21/h1-9,12-14,17-18H,10-11,15-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019466
(CHEMBL3290736)Show SMILES Cc1c(CCC(O)=O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12 Show InChI InChI=1S/C29H26ClN3O5/c1-17-23(10-11-26(34)35)37-25-9-8-20(30)28(27(17)25)38-24-12-13-31-16-19(24)29(36)33-15-14-32(18-6-7-18)21-4-2-3-5-22(21)33/h2-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,1H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 101 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019475
(CHEMBL3290716)Show SMILES Cc1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C26H23N3O3/c1-17-16-31-24-9-8-19(14-20(17)24)32-25-10-11-27-15-21(25)26(30)29-13-12-28(18-6-7-18)22-4-2-3-5-23(22)29/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019489
(CHEMBL3290739)Show SMILES CC(=O)c1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1 Show InChI InChI=1S/C25H23N3O3/c1-17(29)18-5-4-6-20(15-18)31-24-11-12-26-16-21(24)25(30)28-14-13-27(19-9-10-19)22-7-2-3-8-23(22)28/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019499
(CHEMBL3290732)Show SMILES Cc1c(\C=C\C(O)=O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12 Show InChI InChI=1S/C29H24ClN3O5/c1-17-23(10-11-26(34)35)37-25-9-8-20(30)28(27(17)25)38-24-12-13-31-16-19(24)29(36)33-15-14-32(18-6-7-18)21-4-2-3-5-22(21)33/h2-5,8-13,16,18H,6-7,14-15H2,1H3,(H,34,35)/b11-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019464
(CHEMBL3290722)Show SMILES COC(=O)CCc1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12 Show InChI InChI=1S/C30H26ClN3O6/c1-38-28(35)9-6-18-17-39-27-15-23(31)21(14-20(18)27)30(37)40-26-10-11-32-16-22(26)29(36)34-13-12-33(19-7-8-19)24-4-2-3-5-25(24)34/h2-5,10-11,14-17,19H,6-9,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019504
(CHEMBL3290704)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2cccnc2c1 Show InChI InChI=1S/C26H22N4O2/c31-26(30-15-14-29(19-8-9-19)23-5-1-2-6-24(23)30)21-17-27-13-11-25(21)32-20-10-7-18-4-3-12-28-22(18)16-20/h1-7,10-13,16-17,19H,8-9,14-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019491
(CHEMBL3290718)Show SMILES Cc1c(Br)oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C26H21BrClN3O3/c1-15-17-12-24(19(28)13-23(17)34-25(15)27)33-22-8-9-29-14-18(22)26(32)31-11-10-30(16-6-7-16)20-4-2-3-5-21(20)31/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 66 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019473
(CHEMBL3290726)Show SMILES OC(=O)CCc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C28H24ClN3O5/c29-21-14-25-19(17(16-36-25)5-8-27(33)34)13-26(21)37-24-9-10-30-15-20(24)28(35)32-12-11-31(18-6-7-18)22-3-1-2-4-23(22)32/h1-4,9-10,13-16,18H,5-8,11-12H2,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 675 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019474
(CHEMBL3290717)Show SMILES Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C26H22ClN3O3/c1-16-15-32-24-13-20(27)25(12-18(16)24)33-23-8-9-28-14-19(23)26(31)30-11-10-29(17-6-7-17)21-4-2-3-5-22(21)30/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019494
(CHEMBL3290706)Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2occc2c1 Show InChI InChI=1S/C25H21N3O3/c29-25(28-13-12-27(18-5-6-18)21-3-1-2-4-22(21)28)20-16-26-11-9-24(20)31-19-7-8-23-17(15-19)10-14-30-23/h1-4,7-11,14-16,18H,5-6,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50019493
(CHEMBL3290731)Show SMILES CCOC(=O)\C=C\c1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C31H28ClN3O5/c1-3-38-28(36)13-12-25-19(2)29-27(39-25)11-10-22(32)30(29)40-26-14-15-33-18-21(26)31(37)35-17-16-34(20-8-9-20)23-6-4-5-7-24(23)35/h4-7,10-15,18,20H,3,8-9,16-17H2,1-2H3/b13-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019465
(CHEMBL3290737)Show SMILES CCOC(=O)CNC(=O)CCc1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C Show InChI InChI=1S/C33H33ClN4O6/c1-3-42-30(40)19-36-29(39)13-12-26-20(2)31-28(43-26)11-10-23(34)32(31)44-27-14-15-35-18-22(27)33(41)38-17-16-37(21-8-9-21)24-6-4-5-7-25(24)38/h4-7,10-11,14-15,18,21H,3,8-9,12-13,16-17,19H2,1-2H3,(H,36,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019505
(CHEMBL3290723)Show SMILES Cc1c(oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12)C(O)=O Show InChI InChI=1S/C27H22ClN3O5/c1-15-17-12-24(19(28)13-23(17)36-25(15)27(33)34)35-22-8-9-29-14-18(22)26(32)31-11-10-30(16-6-7-16)20-4-2-3-5-21(20)31/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50019491
(CHEMBL3290718)Show SMILES Cc1c(Br)oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C26H21BrClN3O3/c1-15-17-12-24(19(28)13-23(17)34-25(15)27)33-22-8-9-29-14-18(22)26(32)31-11-10-30(16-6-7-16)20-4-2-3-5-21(20)31/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay |
Eur J Med Chem 82: 1-15 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.031
BindingDB Entry DOI: 10.7270/Q2F76F4H |
More data for this
Ligand-Target Pair | |
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