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BDBM50370668 CHEMBL540129

SMILES: CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(C[N+](CC)(CC)CC)cc1)N(C)C

InChI Key: InChIKey=SJAPPYSEJNILHM-ROJLCIKYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370668   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ileal bile acid transporter/bile acid cotransporter


(Homo sapiens (Human))		BDBM50370668
PNG
(CHEMBL540129)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(C[N+](CC)(CC)CC)cc1)N(C)C |r|
Show InChI InChI=1S/C33H53N2O3S/c1-8-13-21-33(22-14-9-2)25-39(37,38)30-20-19-28(34(6)7)23-29(30)31(32(33)36)27-17-15-26(16-18-27)24-35(10-3,11-4)12-5/h15-20,23,31-32,36H,8-14,21-22,24-25H2,1-7H3/q+1/t31-,32-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.50E+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