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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 = 'BDBM50134424'   
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))		BDBM50134424
PNG
(CHEMBL332973 | [2-(2-{2-[4-((8R,9R)-7,7-Dibutyl-2-...)
Show SMILES CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C
Show InChI InChI=1S/C37H62N3O6S/c1-8-13-21-37(22-14-9-2)36(41)35(33-29-31(39(6)7)17-20-34(33)47(42,43)38-37)30-15-18-32(19-16-30)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,35-36,38,41H,8-14,21-28H2,1-7H3/q+1/t35-,36-/m1/s1
KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codepen...

Bioorg Med Chem Lett 13: 3727-30 (2003)


BindingDB Entry DOI: 10.7270/Q2M044T4
More data for this
Ligand-Target Pair