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 = 'BDBM50037934'   

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))	BDBM50037934 ((4aR,6aR)-7-(1,5-Dimethyl-hexyl)-1,4a,6a-trimethyl...) Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C |t:14| Show InChI InChI=1S/C27H45NO/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-27(5,17-15-25(29)28(24)6)23(20)14-16-26(21,22)4/h13,18-23H,7-12,14-17H2,1-6H3/t19?,20?,21?,22?,23?,26-,27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	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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