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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 = 'BDBM50047509'   
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)
BDBM50047509
PNG
(1-{2-Dimethylamino-6-[3-(5-phenyl-tetrazol-2-yl)-p...)
Show SMILES CCCCCNC(=O)Nc1c(OCCCn2nnc(n2)-c2ccccc2)cccc1N(C)C
Show InChI InChI=1S/C24H33N7O2/c1-4-5-9-16-25-24(32)26-22-20(30(2)3)14-10-15-21(22)33-18-11-17-31-28-23(27-29-31)19-12-7-6-8-13-19/h6-8,10,12-15H,4-5,9,11,16-18H2,1-3H3,(H2,25,26,32)
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 23n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit aorta homogenate.


J Med Chem 36: 1630-40 (1993)


BindingDB Entry DOI: 10.7270/Q22B8X4P
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047509
PNG
(1-{2-Dimethylamino-6-[3-(5-phenyl-tetrazol-2-yl)-p...)
Show SMILES CCCCCNC(=O)Nc1c(OCCCn2nnc(n2)-c2ccccc2)cccc1N(C)C
Show InChI InChI=1S/C24H33N7O2/c1-4-5-9-16-25-24(32)26-22-20(30(2)3)14-10-15-21(22)33-18-11-17-31-28-23(27-29-31)19-12-7-6-8-13-19/h6-8,10,12-15H,4-5,9,11,16-18H2,1-3H3,(H2,25,26,32)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 230n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit aorta homogenate.


J Med Chem 36: 1630-40 (1993)


BindingDB Entry DOI: 10.7270/Q22B8X4P
More data for this
Ligand-Target Pair