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BDBM50033991 3-(2,4-Difluoro-phenyl)-1-(2-{[2-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-ethyl]-methyl-amino}-ethyl)-1-(2-morpholin-4-yl-ethyl)-urea::CHEMBL11400

SMILES: CN(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCN(CCN1CCOCC1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=JDCWWINOFGMBJY-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 = 50033991   
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)		BDBM50033991
PNG
(3-(2,4-Difluoro-phenyl)-1-(2-{[2-(4,5-diphenyl-1H-...)
Show SMILES CN(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCN(CCN1CCOCC1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H38F2N6O2S/c1-39(20-23-44-32-37-30(25-8-4-2-5-9-25)31(38-32)26-10-6-3-7-11-26)14-16-41(17-15-40-18-21-43-22-19-40)33(42)36-29-13-12-27(34)24-28(29)35/h2-13,24H,14-23H2,1H3,(H,36,42)(H,37,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 240n/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