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BDBM50450329 CHEMBL295079

SMILES: CCCCCCN(CCOCCSc1nc2c[nH]cnc2n1)C(=O)NC(C)C

InChI Key: InChIKey=JXJJTAZPYRXHHS-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450329   
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)
BDBM50450329
PNG
(CHEMBL295079)
Show SMILES CCCCCCN(CCOCCSc1nc2c[nH]cnc2n1)C(=O)NC(C)C
Show InChI InChI=1S/C19H32N6O2S/c1-4-5-6-7-8-25(19(26)22-15(2)3)9-10-27-11-12-28-18-23-16-13-20-14-21-17(16)24-18/h13-15H,4-12H2,1-3H3,(H,22,26)(H,20,21,23,24)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
n/an/a 6.00E+4n/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)
BDBM50450329
PNG
(CHEMBL295079)
Show SMILES CCCCCCN(CCOCCSc1nc2c[nH]cnc2n1)C(=O)NC(C)C
Show InChI InChI=1S/C19H32N6O2S/c1-4-5-6-7-8-25(19(26)22-15(2)3)9-10-27-11-12-28-18-23-16-13-20-14-21-17(16)24-18/h13-15H,4-12H2,1-3H3,(H,22,26)(H,20,21,23,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
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