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1 similar compounds to monomer 50450333

Compile data set for download or QSAR
Wt: 475.5
BDBM50450318

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450318   
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)
BDBM50450318
PNG
(CHEMBL49398)
Show SMILES CCCCCCN(CCCCCSc1nc2ccc[nH]c2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H31F2N5OS/c1-2-3-4-6-14-31(24(32)29-20-12-11-18(25)17-19(20)26)15-7-5-8-16-33-23-28-21-10-9-13-27-22(21)30-23/h9-13,17H,2-8,14-16H2,1H3,(H,29,32)(H,27,28,30)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 5.47E+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)
BDBM50450318
PNG
(CHEMBL49398)
Show SMILES CCCCCCN(CCCCCSc1nc2ccc[nH]c2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H31F2N5OS/c1-2-3-4-6-14-31(24(32)29-20-12-11-18(25)17-19(20)26)15-7-5-8-16-33-23-28-21-10-9-13-27-22(21)30-23/h9-13,17H,2-8,14-16H2,1H3,(H,29,32)(H,27,28,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 3.60E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes 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