Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 3' and Ligand = 'BDBM50528381'   

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
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50528381 (CHEMBL4468509) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N1CC(C)N(CC1C)S(=O)(=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C32H37F3N2O4S/c1-19-18-37(42(40,41)28-7-5-4-6-27(28)32(33,34)35)20(2)17-36(19)30(39)22-9-10-23-21(16-22)8-11-25-24(23)14-15-31(3)26(25)12-13-29(31)38/h4-7,9-10,16,19-20,24-26H,8,11-15,17-18H2,1-3H3/t19?,20?,24-,25-,26+,31+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Queb£c-Research Center Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 (unknown origin) expressed in human LNCAP cells assessed as reduction in [14C]-testosterone formation from [14C]-4-androste...				J Med Chem 62: 7070-7088 (2019) Article DOI: 10.1021/acs.jmedchem.9b00624 BindingDB Entry DOI: 10.7270/Q2B56P6P
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Rattus norvegicus)	BDBM50528381 (CHEMBL4468509) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N1CC(C)N(CC1C)S(=O)(=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C32H37F3N2O4S/c1-19-18-37(42(40,41)28-7-5-4-6-27(28)32(33,34)35)20(2)17-36(19)30(39)22-9-10-23-21(16-22)8-11-25-24(23)14-15-31(3)26(25)12-13-29(31)38/h4-7,9-10,16,19-20,24-26H,8,11-15,17-18H2,1-3H3/t19?,20?,24-,25-,26+,31+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Queb£c-Research Center Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat testes microsomal fraction assessed as reduction in [14C]-testosterone formation from [14C]-4-androst...				J Med Chem 62: 7070-7088 (2019) Article DOI: 10.1021/acs.jmedchem.9b00624 BindingDB Entry DOI: 10.7270/Q2B56P6P
					More data for this Ligand-Target Pair