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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 = 'BDBM50450320'   
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)
BDBM50450320
PNG
(CHEMBL49001)
Show SMILES CCCCCCCN(CCCCCSC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(37)32-25(2)3)23-16-10-17-24-38-29-33-28(36)31(34-29,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,37)(H,33,34,36)
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
n/an/a 2.14E+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