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 = 'BDBM50057454'   

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))	BDBM50057454 ((4aR,6aR,7R,10S)-7-(1,5-Dimethyl-hexyl)-1-ethyl-4a...) Show SMILES CCN1C2C[C@H](C)C3C4CC[C@H](C(C)CCCC(C)C)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Show InChI InChI=1S/C29H51NO/c1-8-30-25-18-21(5)27-23-13-12-22(20(4)11-9-10-19(2)3)28(23,6)16-14-24(27)29(25,7)17-15-26(30)31/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	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibitory concentration was tested on human 5-alpha reductase 1 isozyme				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
					More data for this Ligand-Target Pair