BindingDB logo
myBDB logout

BDBM50033978 1-{5-[4,5-Bis-(4-methylsulfanyl-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-3-(2,4-difluoro-phenyl)-1-heptyl-urea::CHEMBL275479

SMILES: CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccc(SC)cc1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=KLIIZZGJGKVDSJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033978   
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)		BDBM50033978
PNG
(1-{5-[4,5-Bis-(4-methylsulfanyl-phenyl)-1H-imidazo...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccc(SC)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H44F2N4OS3/c1-4-5-6-7-9-22-42(36(43)39-32-21-16-28(37)25-31(32)38)23-10-8-11-24-46-35-40-33(26-12-17-29(44-2)18-13-26)34(41-35)27-14-19-30(45-3)20-15-27/h12-21,25H,4-11,22-24H2,1-3H3,(H,39,43)(H,40,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 70n/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