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 = 'BDBM50274149'   

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))	BDBM50274149 (CHEMBL4127240) Show SMILES Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2c[nH]cn2)c1 Show InChI InChI=1S/C25H25ClN6O2S/c26-23-14-21(13-22(15-23)17-30-8-7-27-19-30)2-1-20-3-5-24(6-4-20)31-9-11-32(12-10-31)35(33,34)25-16-28-18-29-25/h1-8,13-16,18-19H,9-12,17H2,(H,28,29)/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
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