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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 = 'BDBM50172708'   
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))		BDBM50172708
PNG
((4R,5R)-5-{4-[2-(2-{2-[Bis-(2-hydroxy-ethyl)-amino...)
Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCCN(CCO)CCO)cc1)N(C)C
Show InChI InChI=1S/C36H58N2O8S/c1-5-7-15-36(16-8-6-2)28-47(42,43)33-14-11-30(37(3)4)27-32(33)34(35(36)41)29-9-12-31(13-10-29)46-26-25-45-24-23-44-22-19-38(17-20-39)18-21-40/h9-14,27,34-35,39-41H,5-8,15-26,28H2,1-4H3/t34-,35-/m1/s1
KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 9n/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