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 = 'BDBM50072190'   

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))	BDBM50072190 ((R)-8-Chloro-4,10b-dimethyl-1,5,6,10b-tetrahydro-2...) Show SMILES CC1C(=O)CC[C@@]2(C)C1=NCc1cc(Cl)ccc21 |t:9| Show InChI InChI=1S/C15H16ClNO/c1-9-13(18)5-6-15(2)12-4-3-11(16)7-10(12)8-17-14(9)15/h3-4,7,9H,5-6,8H2,1-2H3/t9?,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-1 human steroid 5-alpha-reductase				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50072190 ((R)-8-Chloro-4,10b-dimethyl-1,5,6,10b-tetrahydro-2...) Show SMILES CC1C(=O)CC[C@@]2(C)C1=NCc1cc(Cl)ccc21 |t:9| Show InChI InChI=1S/C15H16ClNO/c1-9-13(18)5-6-15(2)12-4-3-11(16)7-10(12)8-17-14(9)15/h3-4,7,9H,5-6,8H2,1-2H3/t9?,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1				Bioorg Med Chem Lett 8: 2871-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC1169
					More data for this Ligand-Target Pair