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 = 'BDBM50070044'   

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))	BDBM50070044 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-2-yl-v...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccc5ccccc5n4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-16-15-25(29)28(2)24(26)14-10-20-17-18(8-13-22(20)26)7-11-21-12-9-19-5-3-4-6-23(19)27-21/h3-9,11-13,17,24H,10,14-16H2,1-2H3/b11-7+/t24-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	550	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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