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BDBM50033951 3-(2,4-Difluoro-phenyl)-1-(2-{[2-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-ethyl]-methyl-amino}-ethyl)-1-heptyl-urea::CHEMBL11197

SMILES: CCCCCCCN(CCN(C)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=VNKSKEFWZZAVHU-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033951   
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
Sterol O-acyltransferase, Soat


(Rattus norvegicus)		BDBM50033951
PNG
(3-(2,4-Difluoro-phenyl)-1-(2-{[2-(4,5-diphenyl-1H-...)
Show SMILES CCCCCCCN(CCN(C)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H41F2N5OS/c1-3-4-5-6-13-20-41(34(42)37-30-19-18-28(35)25-29(30)36)22-21-40(2)23-24-43-33-38-31(26-14-9-7-10-15-26)32(39-33)27-16-11-8-12-17-27/h7-12,14-19,25H,3-6,13,20-24H2,1-2H3,(H,37,42)(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 170n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.

J Med Chem 38: 1067-83 (1995)


BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair