Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 2' and Ligand = 'BDBM50396328'   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50396328 (CHEMBL2172650) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)C(O)=O)[C@@H]1CCC2=O |r,c:9,t:7| Show InChI InChI=1S/C19H24O3/c1-19-9-8-14-13-4-3-12(18(21)22)10-11(13)2-5-15(14)16(19)6-7-17(19)20/h2,10,13-16H,3-9H2,1H3,(H,21,22)/t13-,14+,15+,16-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Inhibition of human type-2 5-alpha reductase expressed in HEK293 cells using [3H]-androstenedione as substrate after 30 mins by HPLC analysis				Eur J Med Chem 54: 728-39 (2012) Article DOI: 10.1016/j.ejmech.2012.06.026 BindingDB Entry DOI: 10.7270/Q26T0NSX
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