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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50450341'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50450341
PNG
(CHEMBL297676)
Show SMILES CCCCCCCN(CCCCCSc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H34F2N4O2S/c1-2-3-4-5-9-16-33(27(35)31-24-15-14-20(28)19-22(24)29)17-10-6-11-18-36-26-30-23-13-8-7-12-21(23)25(34)32-26/h7-8,12-15,19H,2-6,9-11,16-18H2,1H3,(H,31,35)(H,30,32,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 4.00E+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
Sterol O-acyltransferase 1


(Mus musculus)		BDBM50450341
PNG
(CHEMBL297676)
Show SMILES CCCCCCCN(CCCCCSc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H34F2N4O2S/c1-2-3-4-5-9-16-33(27(35)31-24-15-14-20(28)19-22(24)29)17-10-6-11-18-36-26-30-23-13-8-7-12-21(23)25(34)32-26/h7-8,12-15,19H,2-6,9-11,16-18H2,1H3,(H,31,35)(H,30,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.10E+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