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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ileal sodium/bile acid cotransporter' and Ligand = 'BDBM50172699'   
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
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50172699
PNG
(CHEMBL194188 | [4-((4R,5R)-3,3-Dibutyl-7-dimethyla...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(C[N+](C)(C)C)cc1)N(C)C
Show InChI InChI=1S/C30H47N2O3S/c1-8-10-18-30(19-11-9-2)22-36(34,35)27-17-16-25(31(3)4)20-26(27)28(29(30)33)24-14-12-23(13-15-24)21-32(5,6)7/h12-17,20,28-29,33H,8-11,18-19,21-22H2,1-7H3/q+1/t28-,29-/m1/s1
KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT

J Med Chem 48: 5853-68 (2005)


Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2
More data for this
Ligand-Target Pair