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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 = 'BDBM50106693'   
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))
BDBM50106693
PNG
((5,6-Diphenyl-pyridazin-3-yl)-octyl-amine | CHEMBL...)
Show SMILES CCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H29N3/c1-2-3-4-5-6-13-18-25-23-19-22(20-14-9-7-10-15-20)24(27-26-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Acyl-coenzyme A:cholesterol acyltransferase in macrophages


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106693
PNG
((5,6-Diphenyl-pyridazin-3-yl)-octyl-amine | CHEMBL...)
Show SMILES CCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H29N3/c1-2-3-4-5-6-13-18-25-23-19-22(20-14-9-7-10-15-20)24(27-26-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair