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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
pHTemp
°C
G-protein coupled bile acid receptor 1


(Rattus norvegicus)
BDBM50414954
PNG
(CHEMBL575966)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat TGR5 expressed in melanophores assessed as melanosome dispersion by melanophore assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Rattus norvegicus)
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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Article
n/an/an/an/a 3.93E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at rat TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF com...


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Rattus norvegicus)
BDBM50414955
PNG
(CHEMBL576138)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat TGR5 expressed in melanophores assessed as melanosome dispersion by melanophore assay


Citation and Details
More data for this
Ligand-Target Pair