Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 2' and Ligand = 'BDBM50525969'   

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)	BDBM50525969 (CHEMBL4529443) Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C24H16F3NO4S2/c1-13-4-2-7-16(10-13)34(31,32)28-15-6-3-5-14(11-15)19-8-9-20(33-19)23(29)17-12-18(25)22(27)24(30)21(17)26/h2-12,28,30H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
ElexoPharm GmbH Curated by ChEMBL					Assay Description Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis				J Med Chem 62: 1362-1372 (2019) Article DOI: 10.1021/acs.jmedchem.8b01493 BindingDB Entry DOI: 10.7270/Q2CR5XS0
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