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 = 'BDBM50070055'   

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))	BDBM50070055 ((4aR,10bR)-8-((E)-2-Isoquinolin-4-yl-vinyl)-4,10b-...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4cncc5ccccc45)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-14-13-25(29)28(2)24(26)12-10-19-15-18(8-11-23(19)26)7-9-21-17-27-16-20-5-3-4-6-22(20)21/h3-9,11,15-17,24H,10,12-14H2,1-2H3/b9-7+/t24-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.34E+3	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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