Compile Data Set for Download or QSAR

Found 436 hits with Last Name = 'hernandez-olmos' and Initial = 'v'   

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
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50370141 (TNP-ATP) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |c:36,39,(6.91,.64,;6.89,-.9,;5.56,-1.66,;5.55,-3.21,;6.88,-3.97,;8.21,-3.22,;9.67,-3.7,;10.58,-2.46,;9.68,-1.21,;8.22,-1.68,;10.14,-5.17,;9.23,-6.42,;10.13,-7.66,;9.36,-9,;7.82,-9.01,;7.06,-10.34,;5.72,-9.57,;8.15,-11.43,;5.96,-11.43,;4.42,-11.44,;4.39,-9.89,;3.66,-12.79,;2.92,-11.07,;1.38,-11.1,;.93,-9.62,;-.11,-11.54,;1.4,-12.64,;11.6,-7.19,;13.07,-7.68,;13.97,-6.42,;13.07,-5.18,;11.6,-5.65,;14.73,-7.75,;16.26,-7.76,;17.03,-6.44,;16.26,-5.11,;14.73,-5.1,;13.96,-3.76,;14.73,-2.42,;12.42,-3.75,;18.57,-6.45,;19.34,-5.11,;19.34,-7.79,;13.95,-9.09,;12.41,-9.08,;14.72,-10.43,)| Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Competitive antagonist activity at human P2X4 receptor expressed in 1321N1 cell membrane assessed as inhibition of [35S]ATPgammaS binding by scintill...				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50530480 (CHEMBL4445524) Show SMILES OC(=O)CCCc1nc(c(o1)-c1ccccc1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H15Cl2NO3/c20-14-10-9-13(11-15(14)21)18-19(12-5-2-1-3-6-12)25-16(22-18)7-4-8-17(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Competitive inhibition of full length human soluble epoxide hydrolase pre-incubated for 30 mins before DiFMUP substrate addition by fluorescence base...				J Med Chem 62: 8443-8460 (2019) Article DOI: 10.1021/acs.jmedchem.9b00445 BindingDB Entry DOI: 10.7270/Q2V98CJ7
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50530480 (CHEMBL4445524) Show SMILES OC(=O)CCCc1nc(c(o1)-c1ccccc1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H15Cl2NO3/c20-14-10-9-13(11-15(14)21)18-19(12-5-2-1-3-6-12)25-16(22-18)7-4-8-17(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Competitive inhibition of full length human soluble epoxide hydrolase pre-incubated for 30 mins before DiFMUP substrate addition by fluorescence base...				J Med Chem 62: 8443-8460 (2019) Article DOI: 10.1021/acs.jmedchem.9b00445 BindingDB Entry DOI: 10.7270/Q2V98CJ7
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466033 (CHEMBL4293115) Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-6-5-12(24-13)8-1-3-9(21)4-2-8/h1-7,21,23H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466018 (CHEMBL4283851) Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C18H9Cl2F3O3S/c1-26-18-9(19)4-7(5-10(18)20)12-2-3-13(27-12)16(24)8-6-11(21)15(23)17(25)14(8)22/h2-6,25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466021 (CHEMBL4295076) Show SMILES Oc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466032 (CHEMBL4276934) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2)c1F Show InChI InChI=1S/C17H9F3O2S/c18-11-8-10(14(19)17(22)15(11)20)16(21)13-7-6-12(23-13)9-4-2-1-3-5-9/h1-8,22H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466019 (CHEMBL4286251) Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466020 (CHEMBL4293119) Show SMILES COc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C18H11F3O3S/c1-24-12-5-3-2-4-9(12)13-6-7-14(25-13)17(22)10-8-11(19)16(21)18(23)15(10)20/h2-8,23H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466012 (CHEMBL4287575) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466034 (CHEMBL4284771) Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,21,23H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466008 (CHEMBL4290218) Show SMILES COc1c(C)cc(cc1C)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C20H15F3O3S/c1-9-6-11(7-10(2)20(9)26-3)14-4-5-15(27-14)18(24)12-8-13(21)17(23)19(25)16(12)22/h4-8,25H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466019 (CHEMBL4286251) Show SMILES Cc1cc(cc(C)c1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C19H13F3O3S/c1-8-5-10(6-9(2)17(8)23)13-3-4-14(26-13)18(24)11-7-12(20)16(22)19(25)15(11)21/h3-7,23,25H,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466027 (CHEMBL4292910) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]ccc3c2)c1F Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-1-2-13-9(7-10)5-6-23-13/h1-8,23,25H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50232146 (CHEMBL4092593) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F Show InChI InChI=1S/C17H7F5O2S/c18-7-1-2-8(10(19)5-7)12-3-4-13(25-12)16(23)9-6-11(20)15(22)17(24)14(9)21/h1-6,24H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466012 (CHEMBL4287575) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-5-4-14(26-15)10-2-1-3-13-9(10)6-7-23-13/h1-8,23,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466018 (CHEMBL4283851) Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C18H9Cl2F3O3S/c1-26-18-9(19)4-7(5-10(18)20)12-2-3-13(27-12)16(24)8-6-11(21)15(23)17(25)14(8)22/h2-6,25H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466030 (CHEMBL4291714) Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H8ClF3O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466011 (CHEMBL4283199) Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C18H11F3O3S/c1-24-10-4-2-3-9(7-10)13-5-6-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)20/h2-8,23H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586964 (CHEMBL5074984) Show SMILES CC(C)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586969 (CHEMBL5088299) Show SMILES Fc1cccc(c1)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586961 (CHEMBL5078180) Show SMILES CC(C)Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586956 (CHEMBL5075652) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)S(=O)(=O)c2cccc(F)c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466031 (CHEMBL4276985) Show SMILES Nc1cc(cc(F)c1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H8F5NO2S/c18-8-3-6(4-10(23)14(8)21)11-1-2-12(26-11)16(24)7-5-9(19)15(22)17(25)13(7)20/h1-5,25H,23H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466008 (CHEMBL4290218) Show SMILES COc1c(C)cc(cc1C)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C20H15F3O3S/c1-9-6-11(7-10(2)20(9)26-3)14-4-5-15(27-14)18(24)12-8-13(21)17(23)19(25)16(12)22/h4-8,25H,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466015 (CHEMBL4291052) Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C18H11F3O3S/c1-24-10-4-2-9(3-5-10)13-6-7-14(25-13)17(22)11-8-12(19)16(21)18(23)15(11)20/h2-8,23H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466030 (CHEMBL4291714) Show SMILES Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H8ClF3O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466010 (CHEMBL4286141) Show SMILES Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H8F4O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586954 (CHEMBL5079563) Show SMILES CC(c1cccc(F)c1)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(C)(=O)=O)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586965 (CHEMBL5074074) Show SMILES COCCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586963 (CHEMBL5090087) Show SMILES FC(F)(F)C(Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586962 (CHEMBL5081457) Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3CC3)ccc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586945 (CHEMBL5084314) Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466010 (CHEMBL4286141) Show SMILES Oc1ccc(cc1F)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H8F4O3S/c18-9-5-7(1-2-11(9)22)12-3-4-13(25-12)16(23)8-6-10(19)15(21)17(24)14(8)20/h1-6,22,24H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466029 (CHEMBL4286097) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3cccnc3c2)c1F Show InChI InChI=1S/C20H10F3NO2S/c21-13-9-12(17(22)20(26)18(13)23)19(25)16-6-5-15(27-16)11-4-3-10-2-1-7-24-14(10)8-11/h1-9,26H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466034 (CHEMBL4284771) Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H9F3O3S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,21,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466013 (CHEMBL4277596) Show SMILES Nc1cc(ccc1O)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H10F3NO3S/c18-9-6-8(14(19)17(24)15(9)20)16(23)13-4-3-12(25-13)7-1-2-11(22)10(21)5-7/h1-6,22,24H,21H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466014 (CHEMBL4282320) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3cc[nH]c3c2)c1F Show InChI InChI=1S/C19H10F3NO2S/c20-12-8-11(16(21)19(25)17(12)22)18(24)15-4-3-14(26-15)10-2-1-9-5-6-23-13(9)7-10/h1-8,23,25H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466022 (CHEMBL4279043) Show SMILES Nc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H10F3NO2S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,23H,21H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586955 (CHEMBL5090873) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)C(=O)c2cccc(F)c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466001 (CHEMBL4278956) Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C18H11F3O3S/c19-12-7-11(15(20)18(24)16(12)21)17(23)14-5-4-13(25-14)10-3-1-2-9(6-10)8-22/h1-7,22,24H,8H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466006 (CHEMBL4282780) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C19H12F3NO3S/c1-9(24)23-11-4-2-3-10(7-11)14-5-6-15(27-14)18(25)12-8-13(20)17(22)19(26)16(12)21/h2-8,26H,1H3,(H,23,24)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466007 (CHEMBL4289569) Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H7Cl2F3O3S/c18-8-3-6(4-9(19)16(8)24)11-1-2-12(26-11)15(23)7-5-10(20)14(22)17(25)13(7)21/h1-5,24-25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586966 (CHEMBL5091134) Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3COC3)ccc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586960 (CHEMBL5081013) Show SMILES CC(C)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586947 (CHEMBL5087833) Show SMILES Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586944 (CHEMBL5090821) Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50466028 (CHEMBL4289526) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]cnc3c2)c1F Show InChI InChI=1S/C18H9F3N2O2S/c19-10-6-9(15(20)18(25)16(10)21)17(24)14-4-3-13(26-14)8-1-2-11-12(5-8)23-7-22-11/h1-7,25H,(H,22,23)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50466021 (CHEMBL4295076) Show SMILES Oc1ccccc1-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C17H9F3O3S/c18-10-7-9(14(19)17(23)15(10)20)16(22)13-6-5-12(24-13)8-3-1-2-4-11(8)21/h1-7,21,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				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

Displayed 1 to 50 (of 436 total )  |  Next  |  Last  >>

Jump to: