Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 1' and Ligand = 'BDBM50044877'   

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))	BDBM50044877 (8-Fluoro-4-methyl-1,4,4a,5,6,10b-hexahydro-2H-benz...) Show SMILES CN1[C@H]2CCc3cc(F)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16FNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044877 (8-Fluoro-4-methyl-1,4,4a,5,6,10b-hexahydro-2H-benz...) Show SMILES CN1[C@H]2CCc3cc(F)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16FNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair