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 = 'BDBM50037915'   

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))	BDBM50037915 ((4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-10-ethyl-1,4a...) Show SMILES CC[C@H]1CC2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C Show InChI InChI=1S/C29H51NO/c1-8-21-18-25-29(6,17-15-26(31)30(25)7)24-14-16-28(5)22(12-13-23(28)27(21)24)20(4)11-9-10-19(2)3/h19-25,27H,8-18H2,1-7H3/t20?,21-,22?,23?,24?,25?,27?,28+,29+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	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
					More data for this Ligand-Target Pair