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BDBM50033976 1-{5-[4,5-Bis-(4-methylsulfanyl-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1-[2-(2-ethoxy-ethoxy)-ethyl]-3-isopropyl-urea::CHEMBL11248

SMILES: CCOCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccc(SC)cc1)C(=O)NC(C)C

InChI Key: InChIKey=JCLQELKEZQYVSJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033976   
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)		BDBM50033976
PNG
(1-{5-[4,5-Bis-(4-methylsulfanyl-phenyl)-1H-imidazo...)
Show SMILES CCOCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccc(SC)cc1)C(=O)NC(C)C
Show InChI InChI=1S/C32H46N4O3S3/c1-6-38-21-22-39-20-19-36(32(37)33-24(2)3)18-8-7-9-23-42-31-34-29(25-10-14-27(40-4)15-11-25)30(35-31)26-12-16-28(41-5)17-13-26/h10-17,24H,6-9,18-23H2,1-5H3,(H,33,37)(H,34,35)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 280n/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