Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 2' and Ligand = 'BDBM50021404'   

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
Estradiol 17-beta-dehydrogenase 2 (Mus musculus)	BDBM50021404 (CHEMBL3289873) Show SMILES COc1cccc(-c2cc(C)c(s2)C(=O)N(C)Cc2cccc(O)c2)c1F Show InChI InChI=1S/C21H20FNO3S/c1-13-10-18(16-8-5-9-17(26-3)19(16)22)27-20(13)21(25)23(2)12-14-6-4-7-15(24)11-14/h4-11,24H,12H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of mouse liver 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis				Eur J Med Chem 83: 317-37 (2014) Article DOI: 10.1016/j.ejmech.2014.06.036 BindingDB Entry DOI: 10.7270/Q2HQ41H5
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