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 = 'BDBM50070047'   

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))	BDBM50070047 ((4aR,10bR)-8-Furan-2-yl-4,10b-dimethyl-1,4,4a,5,6,...) Show SMILES CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)-c1ccco1 Show InChI InChI=1S/C19H21NO2/c1-19-10-9-18(21)20(2)17(19)8-6-13-12-14(5-7-15(13)19)16-4-3-11-22-16/h3-5,7,11-12,17H,6,8-10H2,1-2H3/t17-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 2 as [3H]-T to [3H]-DHT conversion human prostate nuclear membrane				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
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