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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50047534'   
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-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047534
PNG
(1-{2-[3-(5-Isopropyl-4-phenyl-imidazol-1-yl)-propo...)
Show SMILES CC(C)CCNC(=O)Nc1c(C)cccc1OCCCn1cnc(c1C(C)C)-c1ccccc1
Show InChI InChI=1S/C28H38N4O2/c1-20(2)15-16-29-28(33)31-25-22(5)11-9-14-24(25)34-18-10-17-32-19-30-26(27(32)21(3)4)23-12-7-6-8-13-23/h6-9,11-14,19-21H,10,15-18H2,1-5H3,(H2,29,31,33)
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KEGG

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition against acyl coenzyme A:cholesterol acyltransferase derived from rabbit aorta homogenate


J Med Chem 36: 1641-53 (1993)


BindingDB Entry DOI: 10.7270/Q2XP7406
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047534
PNG
(1-{2-[3-(5-Isopropyl-4-phenyl-imidazol-1-yl)-propo...)
Show SMILES CC(C)CCNC(=O)Nc1c(C)cccc1OCCCn1cnc(c1C(C)C)-c1ccccc1
Show InChI InChI=1S/C28H38N4O2/c1-20(2)15-16-29-28(33)31-25-22(5)11-9-14-24(25)34-18-10-17-32-19-30-26(27(32)21(3)4)23-12-7-6-8-13-23/h6-9,11-14,19-21H,10,15-18H2,1-5H3,(H2,29,31,33)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 280n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition against acyl coenzyme A:cholesterol acyltransferase derived from rabbit intestine microsomes


J Med Chem 36: 1641-53 (1993)


BindingDB Entry DOI: 10.7270/Q2XP7406
More data for this
Ligand-Target Pair