Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Steroid 17-alpha-hydroxylase/17,20 lyase' and Ligand = 'BDBM132229'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132229 (USRE45173, 168A) Show SMILES CCc1cn(-c2ccc3ncsc3c2)c(=O)n1-c1cnccc1C |(.26,-4.97,;1.35,-3.88,;.95,-2.39,;-.51,-1.92,;-.51,-.38,;-1.6,.71,;-1.2,2.2,;-2.29,3.29,;-3.78,2.89,;-5.07,3.73,;-6.27,2.76,;-5.72,1.32,;-4.18,1.4,;-3.09,.31,;.95,.1,;1.72,1.43,;1.86,-1.15,;3.19,-.38,;3.96,.96,;5.5,.96,;6.27,-.38,;5.5,-1.71,;3.96,-1.71,;3.19,-3.05,)| Show InChI InChI=1S/C18H16N4OS/c1-3-13-10-21(14-4-5-15-17(8-14)24-11-20-15)18(23)22(13)16-9-19-7-6-12(16)2/h4-11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
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