Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 2' and Ligand = 'BDBM50188388'   

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 2 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
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