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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 = 'BDBM50325328'   
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))
BDBM50325328
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl biphenyl-4-sulf...)
Show SMILES O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O3S/c25-28(26,22-12-8-20(9-13-22)19-4-2-1-3-5-19)27-21-10-6-18(7-11-21)16-24-15-14-23-17-24/h1-15,17H,16H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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))
BDBM50325328
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl biphenyl-4-sulf...)
Show SMILES O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O3S/c25-28(26,22-12-8-20(9-13-22)19-4-2-1-3-5-19)27-21-10-6-18(7-11-21)16-24-15-14-23-17-24/h1-15,17H,16H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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