Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Estradiol 17-beta-dehydrogenase 2' and Ligand = 'BDBM50466002'   

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)	BDBM50466002 (CHEMBL4285743) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysi...				J Med Chem 61: 10724-10738 (2018) Article DOI: 10.1021/acs.jmedchem.8b01373 BindingDB Entry DOI: 10.7270/Q2708448
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Mus musculus)	BDBM50466002 (CHEMBL4285743) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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)	BDBM50466002 (CHEMBL4285743) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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
Estradiol 17-beta-dehydrogenase 2 (Mus musculus)	BDBM50466002 (CHEMBL4285743) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H13F6NO5S2/c25-15-11-14(20(26)23(33)21(15)27)22(32)18-9-8-17(37-18)12-4-3-5-13(10-12)31-38(34,35)19-7-2-1-6-16(19)36-24(28,29)30/h1-11,31,33H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) 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				Eur J Med Chem 178: 93-107 (2019) Article DOI: 10.1016/j.ejmech.2019.05.084 BindingDB Entry DOI: 10.7270/Q2NC64JD
					More data for this Ligand-Target Pair