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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl coenzyme A:cholesterol acyltransferase 1' and Ligand = 'BDBM50037630'   
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
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50037630
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1H-imidazol...)
Show SMILES CCCCCCCN(CCCCCSc1ncc[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C22H32F2N4OS/c1-2-3-4-5-7-14-28(15-8-6-9-16-30-21-25-12-13-26-21)22(29)27-20-11-10-18(23)17-19(20)24/h10-13,17H,2-9,14-16H2,1H3,(H,25,26)(H,27,29)
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PC cid
PC sid
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Similars

n/an/a 5.50E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair