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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50028866'   
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)
BDBM50028866
PNG
(CHEMBL297271 | N-[(1S,2R)-2-(4-Hydroxy-phenyl)-ind...)
Show SMILES Oc1ccc(cc1)[C@H]1Cc2ccccc2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25NO2/c31-24-17-15-20(16-18-24)26-19-23-13-7-8-14-25(23)28(26)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,26-28,31H,19H2,(H,30,32)/t26-,28-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Acyl coenzyme A:cholesterol acyltransferase 1 from rat hepatic microsomes at 10 microM


J Med Chem 39: 1704-19 (1996)


Article DOI: 10.1021/jm950833d
BindingDB Entry DOI: 10.7270/Q2QN65V7
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50028866
PNG
(CHEMBL297271 | N-[(1S,2R)-2-(4-Hydroxy-phenyl)-ind...)
Show SMILES Oc1ccc(cc1)[C@H]1Cc2ccccc2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25NO2/c31-24-17-15-20(16-18-24)26-19-23-13-7-8-14-25(23)28(26)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,26-28,31H,19H2,(H,30,32)/t26-,28-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT)


J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50028866
PNG
(CHEMBL297271 | N-[(1S,2R)-2-(4-Hydroxy-phenyl)-ind...)
Show SMILES Oc1ccc(cc1)[C@H]1Cc2ccccc2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25NO2/c31-24-17-15-20(16-18-24)26-19-23-13-7-8-14-25(23)28(26)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,26-28,31H,19H2,(H,30,32)/t26-,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl-coenzyme A:cholesterol acyltransferase 1 from rat hepatic microsomes.


J Med Chem 39: 1704-19 (1996)


Article DOI: 10.1021/jm950833d
BindingDB Entry DOI: 10.7270/Q2QN65V7
More data for this
Ligand-Target Pair