Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steroid 17-alpha-hydroxylase/17,20 lyase' and Ligand = 'BDBM158444'   

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))	BDBM158444 (US9029399, 18A | US9339501, 18A) Show SMILES Cc1csc2cc(ccc12)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C20H19N3OS/c1-13-12-25-19-10-15(4-5-16(13)19)22-8-9-23(20(22)24)18-11-21-7-6-17(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9339501 (2016) BindingDB Entry DOI: 10.7270/Q26T0KG2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM158444 (US9029399, 18A | US9339501, 18A) Show SMILES Cc1csc2cc(ccc12)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C20H19N3OS/c1-13-12-25-19-10-15(4-5-16(13)19)22-8-9-23(20(22)24)18-11-21-7-6-17(18)14-2-3-14/h4-7,10-12,14H,2-3,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9029399 (2015) BindingDB Entry DOI: 10.7270/Q28G8JFD
					More data for this Ligand-Target Pair