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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50019493'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
G-protein coupled bile acid receptor 1


(Mus musculus)
BDBM50019493
PNG
(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+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/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
PNG
(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/an/an/an/a 8.90n/an/an/an/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