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SMILES: CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OCCOCCOCC[N+](CC)(CC)CC)cc2)c2cc(ccc2S(=O)(=O)N1C)N(C)C

InChI Key: InChIKey=ZNHVKQPQGYQGOK-FZNHDDJXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134423   
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 sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50134423
PNG
(CHEMBL434814 | [2-(2-{2-[4-((8R,9R)-7,7-Dibutyl-2-...)
Show SMILES CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OCCOCCOCC[N+](CC)(CC)CC)cc2)c2cc(ccc2S(=O)(=O)N1C)N(C)C
Show InChI InChI=1S/C38H64N3O6S/c1-9-14-22-38(23-15-10-2)37(42)36(34-30-32(39(6)7)18-21-35(34)48(43,44)40(38)8)31-16-19-33(20-17-31)47-29-28-46-27-26-45-25-24-41(11-3,12-4)13-5/h16-21,30,36-37,42H,9-15,22-29H2,1-8H3/q+1/t36-,37-/m1/s1
KEGG

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PC sid
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n/an/a 200n/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