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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 = 'BDBM50134415'   
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))		BDBM50134415
PNG
(5-Bromo-pentanoic acid [3-((8R,9R)-7,7-dibutyl-2-d...)
Show SMILES CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NC(=O)CCCCBr)c2)c2cc(ccc2S(=O)(=O)N1C)N(C)C
Show InChI InChI=1S/C31H46BrN3O4S/c1-6-8-18-31(19-9-7-2)30(37)29(23-13-12-14-24(21-23)33-28(36)15-10-11-20-32)26-22-25(34(3)4)16-17-27(26)40(38,39)35(31)5/h12-14,16-17,21-22,29-30,37H,6-11,15,18-20H2,1-5H3,(H,33,36)/t29-,30-/m1/s1
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 690n/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