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BDBM50037666 3-(2,4-Difluoro-phenyl)-1-[8-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-octyl]-1-heptyl-urea::CHEMBL115514

SMILES: CCCCCCCN(CCCCCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=WKNFCDAGNOCENC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037666   
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)		BDBM50037666
PNG
(3-(2,4-Difluoro-phenyl)-1-[8-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C37H46F2N4OS/c1-2-3-4-7-16-25-43(37(44)40-33-24-23-31(38)28-32(33)39)26-17-8-5-6-9-18-27-45-36-41-34(29-19-12-10-13-20-29)35(42-36)30-21-14-11-15-22-30/h10-15,19-24,28H,2-9,16-18,25-27H2,1H3,(H,40,44)(H,41,42)
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PC sid
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PubMed
n/an/a 8n/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