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 = 'BDBM112002'   

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))	BDBM112002 (US8623892, 4) Show SMILES CC(C)C(O)(c1cnn[nH]1)c1ccc2cc(ccc2c1)-c1cnco1 Show InChI InChI=1S/C19H18N4O2/c1-12(2)19(24,18-10-21-23-22-18)16-6-5-13-7-15(4-3-14(13)8-16)17-9-20-11-25-17/h3-12,24H,1-2H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals, Inc. US Patent					Assay Description In the design of clinically safe and effective metalloenzyme inhibitors, use of the most appropriate metal-binding group for the particular target an...				US Patent US8623892 (2014) BindingDB Entry DOI: 10.7270/Q2PG1QCN
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