Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 2' and Ligand = 'BDBM50515446'   

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)	BDBM50515446 (CHEMBL4441152) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Mus musculus)	BDBM50515446 (CHEMBL4441152) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1F Show InChI InChI=1S/C23H13F4NO4S2/c24-13-4-6-15(7-5-13)34(31,32)28-14-3-1-2-12(10-14)18-8-9-19(33-18)22(29)16-11-17(25)21(27)23(30)20(16)26/h1-11,28,30H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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: 7289-7301 (2019) Article DOI: 10.1021/acs.jmedchem.9b00932 BindingDB Entry DOI: 10.7270/Q27H1NX9
					More data for this Ligand-Target Pair