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BDBM50450338 CHEMBL416816

SMILES: CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=DZMFEXDDNRRRCO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450338   
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)
BDBM50450338
PNG
(CHEMBL416816)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)31-20-11-10-18(25)15-19(20)26)13-8-6-9-14-34-23-21-22(28-16-27-21)29-17-30-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,31,33)(H,27,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
n/an/a 200n/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)
BDBM50450338
PNG
(CHEMBL416816)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)31-20-11-10-18(25)15-19(20)26)13-8-6-9-14-34-23-21-22(28-16-27-21)29-17-30-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,31,33)(H,27,28,29,30)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
n/an/a 5.32E+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