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BDBM50450334 CHEMBL49957

SMILES: CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)NC(C)C

InChI Key: InChIKey=HSIHEAKOAYWNSX-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 = 50450334   
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)
BDBM50450334
PNG
(CHEMBL49957)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)NC(C)C
Show InChI InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)26-17(2)3)13-10-8-11-14-29-20-18-19(23-15-22-18)24-16-25-20/h15-17H,4-14H2,1-3H3,(H,26,28)(H,22,23,24,25)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 4.72E+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)
BDBM50450334
PNG
(CHEMBL49957)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)NC(C)C
Show InChI InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)26-17(2)3)13-10-8-11-14-29-20-18-19(23-15-22-18)24-16-25-20/h15-17H,4-14H2,1-3H3,(H,26,28)(H,22,23,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 2.97E+4n/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