Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Steroid 17-alpha-hydroxylase/17,20 lyase' and Ligand = 'BDBM50097370'   

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))	BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) Show SMILES Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) Show SMILES Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressing rat NADPH-P450-reductase using progesterone as substrate				J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) Show SMILES Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O Show InChI InChI=1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Accelrys Curated by ChEMBL					Assay Description In vitro inhibition of human Cytochrome P450 17A1 activity				J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7
					More data for this Ligand-Target Pair