BindingDB logo
myBDB logout

BDBM50454948 CHEMBL311285

SMILES: Cc1cc(C)c(NC(=O)N(Cc2cccc(c2)-n2cccc2)C2CCCCCC2)c(C)c1

InChI Key: InChIKey=JKRAEHLAXRQUIO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454948   
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)
BDBM50454948
PNG
(CHEMBL311285)
Show SMILES Cc1cc(C)c(NC(=O)N(Cc2cccc(c2)-n2cccc2)C2CCCCCC2)c(C)c1
Show InChI InChI=1S/C28H35N3O/c1-21-17-22(2)27(23(3)18-21)29-28(32)31(25-12-6-4-5-7-13-25)20-24-11-10-14-26(19-24)30-15-8-9-16-30/h8-11,14-19,25H,4-7,12-13,20H2,1-3H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rabbit intestinal microsomes


J Med Chem 41: 2390-410 (1998)


Article DOI: 10.1021/jm9800853
BindingDB Entry DOI: 10.7270/Q2MW2G7V
More data for this
Ligand-Target Pair