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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 17A1' and Ligand = 'BDBM50325331'   
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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50325331
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-butylbenzenes...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C20H22N2O3S/c1-2-3-4-17-7-11-20(12-8-17)26(23,24)25-19-9-5-18(6-10-19)15-22-14-13-21-16-22/h5-14,16H,2-4,15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 20: 5345-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.100
BindingDB Entry DOI: 10.7270/Q2DF6RF1
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50325331
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-butylbenzenes...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C20H22N2O3S/c1-2-3-4-17-7-11-20(12-8-17)26(23,24)25-19-9-5-18(6-10-19)15-22-14-13-21-16-22/h5-14,16H,2-4,15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 20: 5345-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.100
BindingDB Entry DOI: 10.7270/Q2DF6RF1
More data for this
Ligand-Target Pair