Found 1633 hits of ec50 data for polymerid = 2178,50004590,50006271 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50156370
(CHEMBL3793436)Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H31FN4O3S/c1-31(2,22-5-14-27(37-3)28(19-22)38-4)29-20-34-30(36(29)25-8-6-23(32)7-9-25)40-18-17-39-26-12-10-24(11-13-26)35-16-15-33-21-35/h5-16,19-21H,17-18H2,1-4H3 | 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 | 0.0570 | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 7: 51-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00323
BindingDB Entry DOI: 10.7270/Q2125VJ1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50156370
(CHEMBL3793436)Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H31FN4O3S/c1-31(2,22-5-14-27(37-3)28(19-22)38-4)29-20-34-30(36(29)25-8-6-23(32)7-9-25)40-18-17-39-26-12-10-24(11-13-26)35-16-15-33-21-35/h5-16,19-21H,17-18H2,1-4H3 | 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 | 0.0620 | n/a | n/a | n/a | n/a |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 7: 51-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00323
BindingDB Entry DOI: 10.7270/Q2125VJ1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50399971
(CHEMBL2181247)Show SMILES Fc1ccccc1-c1ccnc2OCC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc12 Show InChI InChI=1S/C23H15F7N2O2/c24-19-4-2-1-3-17(19)16-5-6-31-21-18(16)11-32(20(33)12-34-21)10-13-7-14(22(25,26)27)9-15(8-13)23(28,29)30/h1-9H,10-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.230 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
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
(Mus musculus) | BDBM50266580
(CHEMBL4087611)Show SMILES N.N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCN(CCS(O)(=O)=O)CCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C32H37F3N4O9S3/c1-37(24-9-10-29(46-2)30(17-24)47-3)31-20-36-32(39(31)23-7-5-22(33)6-8-23)49-21-26-27(34)18-25(19-28(26)35)48-14-4-11-38(12-15-50(40,41)42)13-16-51(43,44)45/h5-10,17-20H,4,11-16,21H2,1-3H3,(H,40,41,42)(H,43,44,45) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
University of Lille
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay |
J Med Chem 60: 4185-4211 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01873
BindingDB Entry DOI: 10.7270/Q21838ZP |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50429128
(CHEMBL2336232)Show SMILES CC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2N4O2/c1-13(2)27(12-15-7-6-10-24-11-15)20(28)18-14(3)25-26(4)21(18)29-17-9-5-8-16(22)19(17)23/h5-11,13H,12H2,1-4H3 | 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 | 0.300 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP... |
Bioorg Med Chem Lett 23: 1407-11 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.076
BindingDB Entry DOI: 10.7270/Q2WQ054S |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50399970
(CHEMBL2181229)Show SMILES Cc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C24H21Cl2N3O2/c1-15-12-19(26)23(13-18(15)25)31-22-8-9-27-14-17(22)24(30)29-11-10-28(16-6-7-16)20-4-2-3-5-21(20)29/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 | 0.310 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50552649
(CHEMBL4779837)Show SMILES C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(C2CC2)c2ccccc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human TGR5 transfected in HEK293T cells assessed intracellular cAMP level by HTRF assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115972
BindingDB Entry DOI: 10.7270/Q2XP78KG |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50266544
(CHEMBL4060410)Show SMILES N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C28H28F3N3O6S2/c1-33(20-9-10-25(38-2)26(13-20)39-3)27-16-32-28(34(27)19-7-5-18(29)6-8-19)41-17-22-23(30)14-21(15-24(22)31)40-11-4-12-42(35,36)37/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,35,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
University of Lille
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay |
J Med Chem 60: 4185-4211 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01873
BindingDB Entry DOI: 10.7270/Q21838ZP |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50612411
(CHEMBL5270816) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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)) | BDBM50399969
(CHEMBL2181227)Show SMILES Clc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C23H18Cl3N3O2/c24-16-11-18(26)22(12-17(16)25)31-21-7-8-27-13-15(21)23(30)29-10-9-28(14-5-6-14)19-3-1-2-4-20(19)29/h1-4,7-8,11-14H,5-6,9-10H2 | 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 | 0.460 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50003570
(CHEMBL3234869)Show SMILES COc1cc(ccc1C(O)=O)C1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C31H31F3N6O4/c1-44-25-16-22(6-7-23(25)29(42)43)21-9-13-39(14-10-21)26-17-27(38-30(37-26)31(32,33)34)40-15-11-24(40)28(41)36-12-8-19-2-4-20(18-35)5-3-19/h2-7,16-17,21,24H,8-15H2,1H3,(H,36,41)(H,42,43)/t24-/m0/s1 | 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 | 0.5 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay |
J Med Chem 57: 3263-82 (2014)
Article DOI: 10.1021/jm401731q
BindingDB Entry DOI: 10.7270/Q2H41SZ3 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM398287
(US10323016, Example 26)Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS([O-])(=O)=O)cc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C28H28F3N3O6S2/c1-33(20-9-10-25(38-2)26(13-20)39-3)27-16-32-28(34(27)19-7-5-18(29)6-8-19)41-17-22-23(30)14-21(15-24(22)31)40-11-4-12-42(35,36)37/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,35,36,37)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Philipps-University Marburg
| Assay Description
In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene as... |
Bioorg Med Chem 16: 8574-86 (2008)
BindingDB Entry DOI: 10.7270/Q22Z17WT |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50612414
(CHEMBL5285528) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50003559
(CHEMBL3234570)Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C27H32F3N7O2/c28-27(29,30)26-33-23(36-12-10-35(11-13-36)22-17-39-18-22)14-24(34-26)37-9-1-2-21(16-37)25(38)32-8-7-19-3-5-20(15-31)6-4-19/h3-6,14,21-22H,1-2,7-13,16-18H2,(H,32,38)/t21-/m1/s1 | 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 | 0.5 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay |
J Med Chem 57: 3263-82 (2014)
Article DOI: 10.1021/jm401731q
BindingDB Entry DOI: 10.7270/Q2H41SZ3 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50399968
(CHEMBL2181228)Show SMILES Cc1cc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1C Show InChI InChI=1S/C26H27N3O2/c1-17-14-19(3)25(15-18(17)2)31-24-10-11-27-16-21(24)26(30)29-13-12-28(20-8-9-20)22-6-4-5-7-23(22)29/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3 | 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 | 0.600 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50614538
(CHEMBL5286836) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50399966
(CHEMBL2181226)Show SMILES Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1 Show InChI InChI=1S/C25H25N3O2/c1-17-7-8-18(2)24(15-17)30-23-11-12-26-16-20(23)25(29)28-14-13-27(19-9-10-19)21-5-3-4-6-22(21)28/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.720 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50399967
(CHEMBL2181230)Show SMILES CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C25H23Cl2N3O2/c1-2-16-13-20(27)24(14-19(16)26)32-23-9-10-28-15-18(23)25(31)30-12-11-29(17-7-8-17)21-5-3-4-6-22(21)30/h3-6,9-10,13-15,17H,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 | 0.720 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50266538
(CHEMBL4084668 | US10323016, Example 4)Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22F3N3O2S/c1-30(18-11-12-22(32-2)23(13-18)33-3)24-14-29-25(31(24)17-9-7-16(26)8-10-17)34-15-19-20(27)5-4-6-21(19)28/h4-14H,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
University of Lille
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay |
J Med Chem 60: 4185-4211 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01873
BindingDB Entry DOI: 10.7270/Q21838ZP |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50266552
(CHEMBL4094487 | US10323016, Example 20)Show SMILES COc1cc(ccc1F)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H24F3N3O3S/c1-31(16-9-11-22(33-2)24(12-16)35-4)25-14-30-26(36-15-18-19(27)6-5-7-20(18)28)32(25)17-8-10-21(29)23(13-17)34-3/h5-14H,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
University of Lille
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay |
J Med Chem 60: 4185-4211 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01873
BindingDB Entry DOI: 10.7270/Q21838ZP |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50565258
(CHEMBL4779084)Show SMILES COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells assessed as CRE-driven luciferase reporter gene activity incubated for 5.5 hrs and measured ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112619
BindingDB Entry DOI: 10.7270/Q28G8QFG |
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
(Mus musculus) | BDBM50399970
(CHEMBL2181229)Show SMILES Cc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C24H21Cl2N3O2/c1-15-12-19(26)23(13-18(15)25)31-22-8-9-27-14-17(22)24(30)29-11-10-28(16-6-7-16)20-4-2-3-5-21(20)29/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 | 0.980 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50415407
(CHEMBL612138)Show SMILES COc1cccc(c1)-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)15-9-7-14(20)8-10-15)18(21-25-12)13-5-4-6-16(11-13)24-3/h4-11H,1-3H3 | 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 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep... |
Bioorg Med Chem Lett 20: 1363-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.003
BindingDB Entry DOI: 10.7270/Q2028SS5 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50003573
(CHEMBL3234871)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r,wU:6.9,28.32,wD:3.2,(43.64,-56.93,;44.97,-56.16,;46.31,-56.93,;44.97,-54.62,;46.31,-53.85,;46.3,-52.3,;44.97,-51.54,;43.65,-52.32,;43.64,-53.85,;44.96,-50,;43.62,-49.23,;43.62,-47.69,;44.96,-46.92,;46.29,-47.69,;46.29,-49.23,;44.96,-45.38,;46.29,-44.61,;46.29,-43.07,;44.96,-42.3,;43.63,-43.07,;43.62,-44.61,;42.29,-42.3,;40.95,-43.07,;42.29,-40.76,;40.95,-41.53,;47.63,-42.3,;48.02,-40.81,;49.51,-41.22,;49.11,-42.7,;49.87,-44.04,;49.1,-45.37,;51.41,-44.04,;52.19,-42.71,;53.73,-42.72,;54.5,-41.38,;56.04,-41.4,;56.81,-40.07,;56.04,-38.73,;54.49,-38.73,;53.73,-40.06,;56.81,-37.4,;57.58,-36.07,)| Show InChI InChI=1S/C31H30F3N5O3/c32-31(33,34)30-37-25(23-9-5-21(6-10-23)22-7-11-24(12-8-22)29(41)42)17-27(38-30)39-16-14-26(39)28(40)36-15-13-19-1-3-20(18-35)4-2-19/h1-6,9-10,17,22,24,26H,7-8,11-16H2,(H,36,40)(H,41,42)/t22-,24-,26-/m0/s1 | 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 | 1 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay |
J Med Chem 57: 3263-82 (2014)
Article DOI: 10.1021/jm401731q
BindingDB Entry DOI: 10.7270/Q2H41SZ3 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50266552
(CHEMBL4094487 | US10323016, Example 20)Show SMILES COc1cc(ccc1F)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H24F3N3O3S/c1-31(16-9-11-22(33-2)24(12-16)35-4)25-14-30-26(36-15-18-19(27)6-5-7-20(18)28)32(25)17-8-10-21(29)23(13-17)34-3/h5-14H,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Philipps-University Marburg
| Assay Description
In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene as... |
Bioorg Med Chem 16: 8574-86 (2008)
BindingDB Entry DOI: 10.7270/Q22Z17WT |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50612402
(CHEMBL5290871) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50003559
(CHEMBL3234570)Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C27H32F3N7O2/c28-27(29,30)26-33-23(36-12-10-35(11-13-36)22-17-39-18-22)14-24(34-26)37-9-1-2-21(16-37)25(38)32-8-7-19-3-5-20(15-31)6-4-19/h3-6,14,21-22H,1-2,7-13,16-18H2,(H,32,38)/t21-/m1/s1 | 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 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay |
J Med Chem 57: 3263-82 (2014)
Article DOI: 10.1021/jm401731q
BindingDB Entry DOI: 10.7270/Q2H41SZ3 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50459101
(CHEMBL4213913)Show SMILES OCC(CO)(CO)NC(=O)NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r| Show InChI InChI=1S/C32H43Cl2N5O5S/c33-25-15-23(26(34)14-22(25)6-2-1-5-11-35-31(44)36-32(18-40,19-41)20-42)16-37-21-45-17-29(37)30(43)39-13-12-38(24-9-10-24)27-7-3-4-8-28(27)39/h3-4,7-8,14-15,24,29,40-42H,1-2,5-6,9-13,16-21H2,(H2,35,36,44)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Ardelyx, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level by HTRF assay |
J Med Chem 61: 7589-7613 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00308
BindingDB Entry DOI: 10.7270/Q2B56NCH |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50003407
(CHEMBL3234568)Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H30F3N7O/c1-33-11-13-34(14-12-33)21-15-22(32-24(31-21)25(26,27)28)35-10-2-3-20(17-35)23(36)30-9-8-18-4-6-19(16-29)7-5-18/h4-7,15,20H,2-3,8-14,17H2,1H3,(H,30,36)/t20-/m1/s1 | 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 | 1 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay |
J Med Chem 57: 3263-82 (2014)
Article DOI: 10.1021/jm401731q
BindingDB Entry DOI: 10.7270/Q2H41SZ3 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50003569
(CHEMBL3234868)Show SMILES OC(=O)c1ccc(OC2CCN(CC2)c2cc(nc(n2)C(F)(F)F)N2CC[C@H]2C(=O)NCCc2ccc(cc2)C#N)cc1 |r| Show InChI InChI=1S/C30H29F3N6O4/c31-30(32,33)29-36-25(38-14-10-23(11-15-38)43-22-7-5-21(6-8-22)28(41)42)17-26(37-29)39-16-12-24(39)27(40)35-13-9-19-1-3-20(18-34)4-2-19/h1-8,17,23-24H,9-16H2,(H,35,40)(H,41,42)/t24-/m0/s1 | 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 | 1 | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay |
J Med Chem 57: 3263-82 (2014)
Article DOI: 10.1021/jm401731q
BindingDB Entry DOI: 10.7270/Q2H41SZ3 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50266538
(CHEMBL4084668 | US10323016, Example 4)Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22F3N3O2S/c1-30(18-11-12-22(32-2)23(13-18)33-3)24-14-29-25(31(24)17-9-7-16(26)8-10-17)34-15-19-20(27)5-4-6-21(19)28/h4-14H,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Philipps-University Marburg
| Assay Description
In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene as... |
Bioorg Med Chem 16: 8574-86 (2008)
BindingDB Entry DOI: 10.7270/Q22Z17WT |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50552646
(CHEMBL4743463)Show SMILES C[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(F)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human TGR5 transfected in HEK293T cells assessed intracellular cAMP level by HTRF assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115972
BindingDB Entry DOI: 10.7270/Q2XP78KG |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50552647
(CHEMBL4790044)Show SMILES C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(CC1)c1ccccc1F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human TGR5 transfected in HEK293T cells assessed intracellular cAMP level by HTRF assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115972
BindingDB Entry DOI: 10.7270/Q2XP78KG |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50459099
(CHEMBL4202981)Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r| Show InChI InChI=1S/C36H42Cl2N4O8S/c37-25-14-32(50-18-21-5-7-22(8-6-21)35(48)39-15-30(44)33(46)34(47)31(45)17-43)26(38)13-23(25)16-40-20-51-19-29(40)36(49)42-12-11-41(24-9-10-24)27-3-1-2-4-28(27)42/h1-8,13-14,24,29-31,33-34,43-47H,9-12,15-20H2,(H,39,48)/t29-,30-,31+,33+,34+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Ardelyx, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level by HTRF assay |
J Med Chem 61: 7589-7613 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00308
BindingDB Entry DOI: 10.7270/Q2B56NCH |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50429126
(CHEMBL2336233)Show SMILES CC(C)N(Cc1ccc(C)nc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl Show InChI InChI=1S/C22H24Cl2N4O2/c1-13(2)28(12-16-10-9-14(3)25-11-16)21(29)19-15(4)26-27(5)22(19)30-18-8-6-7-17(23)20(18)24/h6-11,13H,12H2,1-5H3 | 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 | 1.20 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP... |
Bioorg Med Chem Lett 23: 1407-11 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.076
BindingDB Entry DOI: 10.7270/Q2WQ054S |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50429129
(CHEMBL2336231)Show SMILES CCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl Show InChI InChI=1S/C20H20Cl2N4O2/c1-4-26(12-14-7-6-10-23-11-14)19(27)17-13(2)24-25(3)20(17)28-16-9-5-8-15(21)18(16)22/h5-11H,4,12H2,1-3H3 | 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 | 1.20 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP... |
Bioorg Med Chem Lett 23: 1407-11 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.076
BindingDB Entry DOI: 10.7270/Q2WQ054S |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50459099
(CHEMBL4202981)Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r| Show InChI InChI=1S/C36H42Cl2N4O8S/c37-25-14-32(50-18-21-5-7-22(8-6-21)35(48)39-15-30(44)33(46)34(47)31(45)17-43)26(38)13-23(25)16-40-20-51-19-29(40)36(49)42-12-11-41(24-9-10-24)27-3-1-2-4-28(27)42/h1-8,13-14,24,29-31,33-34,43-47H,9-12,15-20H2,(H,39,48)/t29-,30-,31+,33+,34+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Ardelyx, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level by HTRF assay |
J Med Chem 61: 7589-7613 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00308
BindingDB Entry DOI: 10.7270/Q2B56NCH |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50612418
(CHEMBL5284434) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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)) | BDBM50160886
(CHEMBL3794442)Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C32H33FN4O3S/c1-22-34-16-17-36(22)25-11-13-27(14-12-25)40-18-19-41-31-35-21-30(37(31)26-9-7-24(33)8-10-26)32(2,3)23-6-15-28(38-4)29(20-23)39-5/h6-17,20-21H,18-19H2,1-5H3 | 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 |
Zydus Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay |
ACS Med Chem Lett 7: 51-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00323
BindingDB Entry DOI: 10.7270/Q2125VJ1 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50399962
(CHEMBL2181239)Show SMILES Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1 Show InChI InChI=1S/C23H19Cl2N3O2/c24-15-5-8-18(25)22(13-15)30-21-9-10-26-14-17(21)23(29)28-12-11-27(16-6-7-16)19-3-1-2-4-20(19)28/h1-5,8-10,13-14,16H,6-7,11-12H2 | 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 | 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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay |
J Med Chem 55: 10475-89 (2012)
Article DOI: 10.1021/jm301071h
BindingDB Entry DOI: 10.7270/Q2H70H0W |
More data for this
Ligand-Target Pair | |
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)) | BDBM50428105
(CHEMBL2331649)Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C20H22F3N5O2S/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27) | 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 | 1.60 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs... |
ACS Med Chem Lett 4: 63-8 (2013)
Article DOI: 10.1021/ml300277t
BindingDB Entry DOI: 10.7270/Q2NP25R3 |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Homo sapiens (Human)) | BDBM50272009
(CHEMBL4126062)Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2c(F)cccc2Cl)n1-c1ccc(F)cc1 Show InChI InChI=1S/C29H29ClF2N2O3S/c1-29(2,19-8-13-25(35-3)26(16-19)36-4)27-17-33-28(34(27)21-11-9-20(31)10-12-21)38-15-14-37-18-22-23(30)6-5-7-24(22)32/h5-13,16-17H,14-15,18H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Cadila Healthcare Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human TGR5 expressed in CHOK1 cells after 5 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 28: 1849-1852 (2018)
Article DOI: 10.1016/j.bmcl.2018.04.011
BindingDB Entry DOI: 10.7270/Q2BP0588 |
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)) | BDBM50429127
(CHEMBL2331604)Show SMILES CC(C)N(Cc1cncs1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl Show InChI InChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP... |
Bioorg Med Chem Lett 23: 1407-11 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.076
BindingDB Entry DOI: 10.7270/Q2WQ054S |
More data for this
Ligand-Target Pair | |
G-protein coupled bile acid receptor 1
(Mus musculus) | BDBM50266567
(CHEMBL4090147 | US10323016, Example 21)Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H21ClF3N3O2S/c1-31(15-8-10-22(33-2)23(12-15)34-3)24-13-30-25(32(24)16-7-9-21(29)18(26)11-16)35-14-17-19(27)5-4-6-20(17)28/h4-13H,14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of Lille
Curated by ChEMBL
| Assay Description
Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay |
J Med Chem 60: 4185-4211 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01873
BindingDB Entry DOI: 10.7270/Q21838ZP |
More data for this
Ligand-Target Pair | |
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