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 = 'BDBM50408268'   

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))	BDBM50408268 (CHEMBL2112524) Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4=NC(NC4)C(C)=O)[C@@H]3CC=C2C1 |c:31,t:19| Show InChI InChI=1S/C26H38N2O3/c1-15(29)24-27-14-23(28-24)22-8-7-20-19-6-5-17-13-18(31-16(2)30)9-11-25(17,3)21(19)10-12-26(20,22)4/h5,18-22,24,27H,6-14H2,1-4H3/t18-,19-,20-,21-,22+,24?,25-,26-/m0/s1	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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human testicular microsomal Cytochrome P450 17A1				J Med Chem 40: 3297-304 (1997) Article DOI: 10.1021/jm970337k BindingDB Entry DOI: 10.7270/Q2ZS2VMD
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM50408268 (CHEMBL2112524) Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4=NC(NC4)C(C)=O)[C@@H]3CC=C2C1 |c:31,t:19| Show InChI InChI=1S/C26H38N2O3/c1-15(29)24-27-14-23(28-24)22-8-7-20-19-6-5-17-13-18(31-16(2)30)9-11-25(17,3)21(19)10-12-26(20,22)4/h5,18-22,24,27H,6-14H2,1-4H3/t18-,19-,20-,21-,22+,24?,25-,26-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of rat testicular microsomal Cytochrome P450 17A1				J Med Chem 40: 3297-304 (1997) Article DOI: 10.1021/jm970337k BindingDB Entry DOI: 10.7270/Q2ZS2VMD
					More data for this Ligand-Target Pair