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BDBM50450314 CHEMBL417187

SMILES: CCCCCCN(CCCCCSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=HSGUKJUHGOFKLQ-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 = 50450314   
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)
BDBM50450314
PNG
(CHEMBL417187)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H31F2N5O3S/c1-2-3-4-6-13-31(25(33)30-21-11-9-18(26)16-20(21)27)14-7-5-8-15-36-24-28-22-12-10-19(32(34)35)17-23(22)29-24/h9-12,16-17H,2-8,13-15H2,1H3,(H,28,29)(H,30,33)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 8.33E+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)
BDBM50450314
PNG
(CHEMBL417187)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H31F2N5O3S/c1-2-3-4-6-13-31(25(33)30-21-11-9-18(26)16-20(21)27)14-7-5-8-15-36-24-28-22-12-10-19(32(34)35)17-23(22)29-24/h9-12,16-17H,2-8,13-15H2,1H3,(H,28,29)(H,30,33)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.00E+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