BindingDB logo
myBDB logout

BDBM50037620 3-(2,4-Difluoro-phenyl)-1-[3-(4,5-diphenyl-1H-imidazol-2-ylsulfanylmethyl)-benzyl]-1-heptyl-urea::CHEMBL115682

SMILES: CCCCCCCN(Cc1cccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=KPJUSGHCRPCLEN-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 = 50037620   
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)		BDBM50037620
PNG
(3-(2,4-Difluoro-phenyl)-1-[3-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(Cc1cccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C37H38F2N4OS/c1-2-3-4-5-12-22-43(37(44)40-33-21-20-31(38)24-32(33)39)25-27-14-13-15-28(23-27)26-45-36-41-34(29-16-8-6-9-17-29)35(42-36)30-18-10-7-11-19-30/h6-11,13-21,23-24H,2-5,12,22,25-26H2,1H3,(H,40,44)(H,41,42)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 30n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes

J Med Chem 37: 3511-22 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair