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BDBM50450335 CHEMBL416998

SMILES: CCCCCCN(CCCCCSc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=VDGRRIUIUOMUNP-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 = 50450335   
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)
BDBM50450335
PNG
(CHEMBL416998)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H32F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,29)(H,30,32)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 3.10E+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)
BDBM50450335
PNG
(CHEMBL416998)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H32F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,29)(H,30,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 500n/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