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 = 'BDBM50031878'   

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))	BDBM50031878 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4c(cccc4C(F)(F)F)C(C)(C)C)C3CN=C12 |t:39| Show InChI InChI=1S/C31H41F3N2O2/c1-17-24(37)13-15-30(6)20-12-14-29(5)19(18(20)16-35-26(17)30)10-11-23(29)27(38)36-25-21(28(2,3)4)8-7-9-22(25)31(32,33)34/h7-9,17-20,23H,10-16H2,1-6H3,(H,36,38)/t17?,18?,19?,20?,23-,29+,30-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair