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SMILES: CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OCCOCCOCC[n+]3ccccc3)cc2)c2cc(ccc2S(=O)(=O)N1C)N(C)C

InChI Key: InChIKey=LZOGWRAKODSTTH-LQFQNGICSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134409   
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))		BDBM50134409
PNG
(1-[2-(2-{2-[4-((8R,9R)-7,7-Dibutyl-2-dimethylamino...)
Show SMILES CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OCCOCCOCC[n+]3ccccc3)cc2)c2cc(ccc2S(=O)(=O)N1C)N(C)C
Show InChI InChI=1S/C37H54N3O6S/c1-6-8-19-37(20-9-7-2)36(41)35(33-29-31(38(3)4)15-18-34(33)47(42,43)39(37)5)30-13-16-32(17-14-30)46-28-27-45-26-25-44-24-23-40-21-11-10-12-22-40/h10-18,21-22,29,35-36,41H,6-9,19-20,23-28H2,1-5H3/q+1/t35-,36-/m1/s1
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PC sid
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PubMed
n/an/a 310n/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