Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 1' and Ligand = 'BDBM50037925'   

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 1 (Homo sapiens (Human))	BDBM50037925 ((4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-4a,6a,10-trim...) Show SMILES CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4NC(=O)C=C[C@]4(C)C3CC[C@]12C |c:20| Show InChI InChI=1S/C27H45NO/c1-17(2)8-7-9-18(3)20-10-11-21-25-19(4)16-23-27(6,15-13-24(29)28-23)22(25)12-14-26(20,21)5/h13,15,17-23,25H,7-12,14,16H2,1-6H3,(H,28,29)/t18?,19-,20?,21?,22?,23?,25?,26+,27+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of type 1 steroid-5-alpha-reductase				J Med Chem 37: 3871-4 (1994) BindingDB Entry DOI: 10.7270/Q2K35V8R
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