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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 = 'BDBM50276564'   
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)
BDBM50276564
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((4-(3-methoxy...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C33H41F3N4O3/c1-21(2)26-18-24(37)19-27(22(3)4)30(26)39-31(41)38-20-32(23-9-8-10-25(17-23)42-5)13-15-40(16-14-32)28-11-6-7-12-29(28)43-33(34,35)36/h6-12,17-19,21-22H,13-16,20,37H2,1-5H3,(H2,38,39,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester...


Bioorg Med Chem 17: 4636-46 (2009)


Article DOI: 10.1016/j.bmc.2009.04.059
BindingDB Entry DOI: 10.7270/Q24M94KR
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50276564
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((4-(3-methoxy...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C33H41F3N4O3/c1-21(2)26-18-24(37)19-27(22(3)4)30(26)39-31(41)38-20-32(23-9-8-10-25(17-23)42-5)13-15-40(16-14-32)28-11-6-7-12-29(28)43-33(34,35)36/h6-12,17-19,21-22H,13-16,20,37H2,1-5H3,(H2,38,39,41)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells


Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair