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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 = 'BDBM50047521'   
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)
BDBM50047521
PNG
(1-{6-Dimethylamino-3-methyl-2-[3-(4-phenyl-imidazo...)
Show SMILES CCCCCNC(=O)Nc1c(ccc(C)c1OCCCn1cnc(c1)-c1ccccc1)N(C)C
Show InChI InChI=1S/C27H37N5O2/c1-5-6-10-16-28-27(33)30-25-24(31(3)4)15-14-21(2)26(25)34-18-11-17-32-19-23(29-20-32)22-12-8-7-9-13-22/h7-9,12-15,19-20H,5-6,10-11,16-18H2,1-4H3,(H2,28,30,33)
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PC cid
PC sid
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PubMed
n/an/a 250n/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)
BDBM50047521
PNG
(1-{6-Dimethylamino-3-methyl-2-[3-(4-phenyl-imidazo...)
Show SMILES CCCCCNC(=O)Nc1c(ccc(C)c1OCCCn1cnc(c1)-c1ccccc1)N(C)C
Show InChI InChI=1S/C27H37N5O2/c1-5-6-10-16-28-27(33)30-25-24(31(3)4)15-14-21(2)26(25)34-18-11-17-32-19-23(29-20-32)22-12-8-7-9-13-22/h7-9,12-15,19-20H,5-6,10-11,16-18H2,1-4H3,(H2,28,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 410n/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 intestine microsomes.


J Med Chem 36: 1630-40 (1993)


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