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SMILES: CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C

InChI Key: InChIKey=XWCZKGRAQFTZBN-VSJLXWSYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134416   
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))		BDBM50134416
PNG
(CHEMBL332974 | Trifluoro-acetate{4-[3-((8R,9R)-7,7...)
Show SMILES CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C
Show InChI InChI=1S/C36H58N4O4S/c1-8-13-23-36(24-14-9-2)35(42)34(31-27-30(39(6)7)21-22-32(31)45(43,44)38-36)28-18-17-19-29(26-28)37-33(41)20-15-16-25-40(10-3,11-4)12-5/h17-19,21-22,26-27,34-35,38,42H,8-16,20,23-25H2,1-7H3/p+1/t34-,35-/m1/s1
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60n/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