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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50037626'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50037626
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CC(C)(C)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4OS/c1-4-5-6-7-14-22-41(34(42)38-30-20-19-28(36)24-29(30)37)25-35(2,3)21-23-43-33-39-31(26-15-10-8-11-16-26)32(40-33)27-17-12-9-13-18-27/h8-13,15-20,24H,4-7,14,21-23,25H2,1-3H3,(H,38,42)(H,39,40)
PDB

KEGG

UniProtKB/SwissProt

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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
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