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 = 'BDBM50037923'   

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))	BDBM50037923 ((4aR,6aR)-7-(1,5-Dimethyl-hexyl)-4a,6a-dimethyl-he...) Show SMILES CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C26H45NO/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23-26(5,16-14-24(28)27-23)22(19)13-15-25(20,21)4/h17-23H,6-16H2,1-5H3,(H,27,28)/t18?,19?,20?,21?,22?,23?,25-,26-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	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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