BindingDB logo
myBDB logout

null

SMILES: CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=XYWZYKFEWQUCRK-UHFFFAOYSA-N

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 2 hits for monomerid = 50450327   
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 1


(Rattus norvegicus)
BDBM50450327
PNG
(CHEMBL300518)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)30-21-11-10-18(25)15-20(21)26)13-8-6-9-14-34-23-19-16-29-31-22(19)27-17-28-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,30,33)(H,27,28,29,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 710n/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
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50450327
PNG
(CHEMBL300518)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)30-21-11-10-18(25)15-20(21)26)13-8-6-9-14-34-23-19-16-29-31-22(19)27-17-28-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,30,33)(H,27,28,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 3.31E+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