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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 = 'BDBM50462683'   
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


(Homo sapiens (Human))		BDBM50462683
PNG
(CHEMBL4247249)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C28H38N2O2S/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)32-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)		BDBM50462683
PNG
(CHEMBL4247249)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C28H38N2O2S/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)32-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
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MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...

Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair