BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50005944'   
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)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 73n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 35: 1609-17 (1992)


BindingDB Entry DOI: 10.7270/Q2G44QXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Institute for Bio-Medical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rabbit intestine microsomes


J Med Chem 39: 1262-70 (1996)


Article DOI: 10.1021/jm950828+
BindingDB Entry DOI: 10.7270/Q24T6HGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 152n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from Caco-2 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 191n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)