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BDBM50450322 CHEMBL431934

SMILES: CCCCCCCN(CCCCCOC1=NC(S)=NC1(c1ccccc1)c1ccccc1)C(=O)NC(C)C

InChI Key: InChIKey=FOSAKYYTVQQBLV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450322   
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 coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450322
PNG
(CHEMBL431934)
Show SMILES CCCCCCCN(CCCCCOC1=NC(S)=NC1(c1ccccc1)c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(36)32-25(2)3)23-16-10-17-24-37-28-31(34-29(38)33-28,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,34,38)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 2.79E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450322
PNG
(CHEMBL431934)
Show SMILES CCCCCCCN(CCCCCOC1=NC(S)=NC1(c1ccccc1)c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(36)32-25(2)3)23-16-10-17-24-37-28-31(34-29(38)33-28,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,34,38)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 90n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACYL CoA:Cholesterol Acyltransferase (ACAT) in rat hepatic microsomes was measured by using AIV assay


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair