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SMILES: CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NCC)c2)c2cc(ccc2S(=O)(=O)N1Cc1ccccc1)N(C)C

InChI Key: InChIKey=FFOAMOASQZPOMD-CZNDPXEESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134407   
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))		BDBM50134407
PNG
((8R,9R)-6-Benzyl-7,7-dibutyl-2-dimethylamino-9-(3-...)
Show SMILES CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NCC)c2)c2cc(ccc2S(=O)(=O)N1Cc1ccccc1)N(C)C
Show InChI InChI=1S/C34H47N3O3S/c1-6-9-21-34(22-10-7-2)33(38)32(27-17-14-18-28(23-27)35-8-3)30-24-29(36(4)5)19-20-31(30)41(39,40)37(34)25-26-15-12-11-13-16-26/h11-20,23-24,32-33,35,38H,6-10,21-22,25H2,1-5H3/t32-,33-/m1/s1
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.50E+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