Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50047937   

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
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50189884 (CHEMBL3827618) Show SMILES Oc1ccc(cc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197835 (CHEMBL3965905) Show SMILES Oc1cccc(c1)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C18H12FNO3/c19-14-8-7-12(10-17(14)22)18(23)16-6-2-5-15(20-16)11-3-1-4-13(21)9-11/h1-10,21-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197827 (CHEMBL3894507) Show SMILES CN(C)c1cccc(c1)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197843 (CHEMBL3941236) Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1F Show InChI InChI=1S/C18H10F3NO3/c19-11-8-7-10(16(21)18(11)25)17(24)13-5-2-4-12(22-13)9-3-1-6-14(23)15(9)20/h1-8,23,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197841 (CHEMBL3932068) Show SMILES Cc1cc(ccc1O)-c1ccc(nc1-c1ccc(O)c(C)c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C26H20FNO4/c1-14-11-16(4-9-22(14)29)19-6-8-21(26(32)18-3-7-20(27)24(31)13-18)28-25(19)17-5-10-23(30)15(2)12-17/h3-13,29-31H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197832 (CHEMBL3913249) Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1O Show InChI InChI=1S/C18H11F2NO4/c19-11-8-7-10(17(24)18(11)25)16(23)13-5-2-4-12(21-13)9-3-1-6-14(22)15(9)20/h1-8,22,24-25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197831 (CHEMBL3949996) Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1cccc(O)c1F Show InChI InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197865 (CHEMBL3938843) Show SMILES Cc1cc(ccc1O)-c1nc(ccc1-c1cccc(O)c1F)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C25H17F2NO4/c1-13-11-14(6-10-20(13)29)24-17(16-3-2-4-21(30)23(16)27)7-9-19(28-24)25(32)15-5-8-18(26)22(31)12-15/h2-12,29-31H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197837 (CHEMBL3911402) Show SMILES Oc1ccc(cc1F)-c1ccc(nc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C18H11F2NO3/c19-13-4-1-11(8-17(13)23)18(24)15-5-2-12(9-21-15)10-3-6-16(22)14(20)7-10/h1-9,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197864 (CHEMBL3923116) Show SMILES Oc1cccc(C(=O)c2cccc(c2)-c2cccc(O)c2F)c1O Show InChI InChI=1S/C19H13FO4/c20-17-13(6-2-8-15(17)21)11-4-1-5-12(10-11)18(23)14-7-3-9-16(22)19(14)24/h1-10,21-22,24H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50360232 (CHEMBL1928186) Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C19H14FNO3/c1-11-8-12(4-7-17(11)22)14-3-6-16(21-10-14)19(24)13-2-5-15(20)18(23)9-13/h2-10,22-23H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50360236 (CHEMBL1928172) Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197842 (CHEMBL3922253) Show SMILES Oc1ccc(cc1F)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C18H11F2NO3/c19-12-6-4-11(9-17(12)23)18(24)15-3-1-2-14(21-15)10-5-7-16(22)13(20)8-10/h1-9,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197830 (CHEMBL3962753) Show SMILES Oc1cccc(c1)-c1cccc(n1)C(=O)c1cccc(O)c1O Show InChI InChI=1S/C18H13NO4/c20-12-5-1-4-11(10-12)14-7-3-8-15(19-14)17(22)13-6-2-9-16(21)18(13)23/h1-10,20-21,23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197846 (CHEMBL3954708) Show SMILES Cc1ccc(cc1O)-c1cccc(n1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C19H14FNO3/c1-11-5-6-12(9-17(11)22)15-3-2-4-16(21-15)19(24)13-7-8-14(20)18(23)10-13/h2-10,22-23H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197861 (CHEMBL3895144) Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(Oc2ccccc2)n1 Show InChI InChI=1S/C18H12FNO3/c19-14-10-9-12(11-16(14)21)18(22)15-7-4-8-17(20-15)23-13-5-2-1-3-6-13/h1-11,21H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197833 (CHEMBL3974385) Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccccc1 Show InChI InChI=1S/C18H12FNO2/c19-14-10-9-13(11-17(14)21)18(22)16-8-4-7-15(20-16)12-5-2-1-3-6-12/h1-11,21H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197845 (CHEMBL3904245) Show SMILES Oc1cccc(C(=O)c2cccc(n2)-c2cccc(O)c2F)c1O Show InChI InChI=1S/C18H12FNO4/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20-12)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197863 (CHEMBL3968387) Show SMILES OCc1cc(nc(c1)-c1cccc(O)c1F)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C19H13F2NO4/c20-13-5-4-11(8-17(13)25)19(26)15-7-10(9-23)6-14(22-15)12-2-1-3-16(24)18(12)21/h1-8,23-25H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197839 (CHEMBL3964826) Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccsc1 Show InChI InChI=1S/C16H10FNO2S/c17-12-5-4-10(8-15(12)19)16(20)14-3-1-2-13(18-14)11-6-7-21-9-11/h1-9,19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197828 (CHEMBL3904073) Show SMILES Oc1cccc(C(=O)c2cccc(-c3cccc(O)c3F)[n+]2[O-])c1O Show InChI InChI=1S/C18H12FNO5/c19-16-10(4-1-8-14(16)21)12-6-3-7-13(20(12)25)17(23)11-5-2-9-15(22)18(11)24/h1-9,21-22,24H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197862 (CHEMBL3932242) Show SMILES Oc1cccc(c1F)-c1cccc(n1)C(=O)c1ccccc1O Show InChI InChI=1S/C18H12FNO3/c19-17-11(6-3-10-16(17)22)13-7-4-8-14(20-13)18(23)12-5-1-2-9-15(12)21/h1-10,21-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197840 (CHEMBL3914131) Show SMILES CN1CCN(CC1)c1cccc(n1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C17H18FN3O2/c1-20-7-9-21(10-8-20)16-4-2-3-14(19-16)17(23)12-5-6-13(18)15(22)11-12/h2-6,11,22H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197836 (CHEMBL3946020) Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H10ClF2NO2/c19-12-8-10(4-6-13(12)20)15-2-1-3-16(22-15)18(24)11-5-7-14(21)17(23)9-11/h1-9,23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197823 (CHEMBL3975350) Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H11F2NO2/c19-13-7-4-11(5-8-13)15-2-1-3-16(21-15)18(23)12-6-9-14(20)17(22)10-12/h1-10,22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50360234 (CHEMBL1928188) Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C19H15NO3/c1-12-10-13(8-9-18(12)22)16-6-3-7-17(20-16)19(23)14-4-2-5-15(21)11-14/h2-11,21-22H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197822 (CHEMBL3924502) Show SMILES Oc1ccc(C(=O)c2cccc(n2)-c2cccc(O)c2F)c(O)c1O Show InChI InChI=1S/C18H12FNO5/c19-15-9(3-1-6-13(15)21)11-4-2-5-12(20-11)16(23)10-7-8-14(22)18(25)17(10)24/h1-8,21-22,24-25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197824 (CHEMBL3983947) Show SMILES Oc1cc(ccc1F)C(=O)c1cccc(n1)N1CCCCC1 Show InChI InChI=1S/C17H17FN2O2/c18-13-8-7-12(11-15(13)21)17(22)14-5-4-6-16(19-14)20-9-2-1-3-10-20/h4-8,11,21H,1-3,9-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197825 (CHEMBL1928057) Show SMILES Oc1cccc(c1)C(=O)c1cccc(n1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C18H12FNO3/c19-14-10-11(7-8-17(14)22)15-5-2-6-16(20-15)18(23)12-3-1-4-13(21)9-12/h1-10,21-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	467	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197826 (CHEMBL3923295) Show SMILES Oc1ccc(O)c(C(=O)c2cccc(n2)-c2cccc(O)c2F)c1O Show InChI InChI=1S/C18H12FNO5/c19-16-9(3-1-6-13(16)22)10-4-2-5-11(20-10)17(24)15-12(21)7-8-14(23)18(15)25/h1-8,21-23,25H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	796	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 14 (Homo sapiens (Human))	BDBM50197844 (CHEMBL3975921) Show SMILES Oc1cc(ccc1F)C(=O)c1ccccn1 Show InChI InChI=1S/C12H8FNO2/c13-9-5-4-8(7-11(9)15)12(16)10-3-1-2-6-14-10/h1-7,15H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 ...				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50360227 (CHEMBL1928180) Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50360232 (CHEMBL1928186) Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C19H14FNO3/c1-11-8-12(4-7-17(11)22)14-3-6-16(21-10-14)19(24)13-2-5-15(20)18(23)9-13/h2-10,22-23H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50360234 (CHEMBL1928188) Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C19H15NO3/c1-12-10-13(8-9-18(12)22)16-6-3-7-17(20-16)19(23)14-4-2-5-15(21)11-14/h2-11,21-22H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50360231 (CHEMBL1928185) Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C19H15NO3/c1-12-9-13(6-8-18(12)22)15-5-7-17(20-11-15)19(23)14-3-2-4-16(21)10-14/h2-11,21-22H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50360227 (CHEMBL1928180) Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50360232 (CHEMBL1928186) Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C19H14FNO3/c1-11-8-12(4-7-17(11)22)14-3-6-16(21-10-14)19(24)13-2-5-15(20)18(23)9-13/h2-10,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50360231 (CHEMBL1928185) Show SMILES Cc1cc(ccc1O)-c1ccc(nc1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C19H15NO3/c1-12-9-13(6-8-18(12)22)15-5-7-17(20-11-15)19(23)14-3-2-4-16(21)10-14/h2-11,21-22H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50360234 (CHEMBL1928188) Show SMILES Cc1cc(ccc1O)-c1cccc(n1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C19H15NO3/c1-12-10-13(8-9-18(12)22)16-6-3-7-17(20-16)19(23)14-4-2-5-15(21)11-14/h2-11,21-22H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair