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BDBM50450342 CHEMBL295286

SMILES: CCCCCCCN(CCCCCSc1n[nH]c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=HJYLJHRLKSUWNJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450342   
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
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450342
PNG
(CHEMBL295286)
Show SMILES CCCCCCCN(CCCCCSc1n[nH]c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H35F2N5OS/c1-2-3-4-5-10-17-34(27(35)30-24-16-15-22(28)20-23(24)29)18-11-7-12-19-36-26-31-25(32-33-26)21-13-8-6-9-14-21/h6,8-9,13-16,20H,2-5,7,10-12,17-19H2,1H3,(H,30,35)(H,31,32,33)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 4.00E+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
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450342
PNG
(CHEMBL295286)
Show SMILES CCCCCCCN(CCCCCSc1n[nH]c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H35F2N5OS/c1-2-3-4-5-10-17-34(27(35)30-24-16-15-22(28)20-23(24)29)18-11-7-12-19-36-26-31-25(32-33-26)21-13-8-6-9-14-21/h6,8-9,13-16,20H,2-5,7,10-12,17-19H2,1H3,(H,30,35)(H,31,32,33)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 4.18E+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