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SMILES: CN(C)c1cccc(OCCCn2cnc(c2)-c2ccccc2)c1NC(=O)NC1CCCCC1

InChI Key: InChIKey=QOWNCIVDLGZPNQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047520   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047520
PNG
(1-Cyclohexyl-3-{2-dimethylamino-6-[3-(4-phenyl-imi...)
Show SMILES CN(C)c1cccc(OCCCn2cnc(c2)-c2ccccc2)c1NC(=O)NC1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-31(2)24-15-9-16-25(26(24)30-27(33)29-22-13-7-4-8-14-22)34-18-10-17-32-19-23(28-20-32)21-11-5-3-6-12-21/h3,5-6,9,11-12,15-16,19-20,22H,4,7-8,10,13-14,17-18H2,1-2H3,(H2,29,30,33)
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PC cid
PC sid
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Similars

PubMed
n/an/a 1.07E+3n/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)
BDBM50047520
PNG
(1-Cyclohexyl-3-{2-dimethylamino-6-[3-(4-phenyl-imi...)
Show SMILES CN(C)c1cccc(OCCCn2cnc(c2)-c2ccccc2)c1NC(=O)NC1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-31(2)24-15-9-16-25(26(24)30-27(33)29-22-13-7-4-8-14-22)34-18-10-17-32-19-23(28-20-32)21-11-5-3-6-12-21/h3,5-6,9,11-12,15-16,19-20,22H,4,7-8,10,13-14,17-18H2,1-2H3,(H2,29,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 73n/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