Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'nashev' and Initial = 'lg'   

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 type 1 (Homo sapiens (Human))	BDBM50179201 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O |r| Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50237104 (2-((8R,9S,13S,14S,16R)-2-ethyl-3-hydroxy-13-methyl...) Show SMILES CCc1cc2[C@H]3CC[C@@]4(C)[C@@H](C[C@H](CC(=O)NCc5cccnc5)C4=O)[C@@H]3CCc2cc1O |r| Show InChI InChI=1S/C28H34N2O3/c1-3-18-11-23-19(13-25(18)31)6-7-22-21(23)8-9-28(2)24(22)12-20(27(28)33)14-26(32)30-16-17-5-4-10-29-15-17/h4-5,10-11,13,15,20-22,24,31H,3,6-9,12,14,16H2,1-2H3,(H,30,32)/t20-,21+,22-,24+,28+/m1/s1	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	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50179201 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O |r| Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188387 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...) Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188390 (4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...) Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50241159 (CHEMBL373383 | N-butyl-6-((6R,8R,9S,13S,14S,17S)-3...) Show SMILES CCCCN(C)C(=O)CCCCCS[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc12 |r| Show InChI InChI=1S/C29H45NO3S/c1-4-5-16-30(3)28(33)9-7-6-8-17-34-26-19-23-22(21-11-10-20(31)18-24(21)26)14-15-29(2)25(23)12-13-27(29)32/h10-11,18,22-23,25-27,31-32H,4-9,12-17,19H2,1-3H3/t22-,23-,25+,26-,27+,29+/m1/s1	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	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188387 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...) Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188386 (2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...) Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188390 (4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...) Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188386 (2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...) Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188387 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...) Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50188390 (4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...) Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of GR-mediated transactivation of galactosidase reporter gene in HEK293 cells expressing 11betaHSD1				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1	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	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50244328 (CHEMBL469909 | N'-((3S,8R,9S,10R,13S,14S)-3-hydrox...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NN=C1C=C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,w:11.11,c:14,t:19| Show InChI InChI=1S/C26H34N2O3S/c1-17-4-7-20(8-5-17)32(30,31)28-27-24-11-10-22-21-9-6-18-16-19(29)12-14-25(18,2)23(21)13-15-26(22,24)3/h4-8,10-11,19,21-23,28-29H,9,12-16H2,1-3H3/t19-,21-,22-,23-,25-,26-/m0/s1	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188386 (2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...) Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact 3T3 L1 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188390 (4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...) Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact C2C12 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM26664 (7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50244255 (1-(4-(2-(p-toluidino)-2-oxoethoxy)-2,3-dibromo-5-e...) Show SMILES CCOc1cc(C=NNC(N)=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 |w:6.5| Show InChI InChI=1S/C19H20Br2N4O4/c1-3-28-14-8-12(9-23-25-19(22)27)16(20)17(21)18(14)29-10-15(26)24-13-6-4-11(2)5-7-13/h4-9H,3,10H2,1-2H3,(H,24,26)(H3,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188387 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-amino-2...) Show SMILES CC1(C)[C@@H](N)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |t:19| Show InChI InChI=1S/C30H47NO3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17,31H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50244290 (2-(2-bromo-6-ethoxy-4-((3-mercapto-5-methyl-4H-pyr...) Show SMILES CCOc1cc(CNc2c(C)[nH][nH]c2=S)cc(Br)c1OCC(=O)NC1CCCCC1 Show InChI InChI=1S/C21H29BrN4O3S/c1-3-28-17-10-14(11-23-19-13(2)25-26-21(19)30)9-16(22)20(17)29-12-18(27)24-15-7-5-4-6-8-15/h9-10,15,23H,3-8,11-12H2,1-2H3,(H,24,27)(H2,25,26,30)	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188391 (4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-me...) Show SMILES COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19-20H,8-9H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188391 (4-(2,4-dichlorophenyl)-2-hydroxy-3-(4-methoxy-3-me...) Show SMILES COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl2O5/c1-12-10-13(4-7-18(12)30-3)21(26)20-19(15-6-5-14(24)11-17(15)25)16(8-9-29-2)22(27)23(20)28/h4-7,10-11,16,19-20H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM9461 (5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...) Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50188386 (2-((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(met...) Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14| Show InChI InChI=1S/C38H52O6/c1-33(2)28-13-16-38(7)30(36(28,5)15-14-29(33)44-27-12-10-9-11-23(27)31(40)41)26(39)21-24-25-22-35(4,32(42)43-8)18-17-34(25,3)19-20-37(24,38)6/h9-12,21,25,28-30H,13-20,22H2,1-8H3,(H,40,41)/t25-,28-,29-,30+,34+,35-,36-,37+,38+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50188390 (4-((5R,10S,13R,14R)-3-acetoxy-4,4,10,13,14-pentame...) Show SMILES CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12| Show InChI InChI=1S/C29H42O6/c1-16(8-9-23(33)34)18-10-13-28(6)25-19(31)14-21-26(3,4)22(35-17(2)30)11-12-27(21,5)24(25)20(32)15-29(18,28)7/h16,18,21-22H,8-15H2,1-7H3,(H,33,34)/t16?,18?,21-,22?,27-,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of GR-mediated transactivation of galactosidase reporter gene in HEK293 cells in absence of 11betaHSD1				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188388 ((R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-...) Show SMILES C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| Show InChI InChI=1S/C41H59NO5/c1-25-23-37(5)20-19-36(4,34(47)42-27(33(45)46)21-26-13-11-10-12-14-26)24-40(37,8)30-22-28(43)32-38(6)17-16-31(44)35(2,3)29(38)15-18-39(32,7)41(25,30)9/h10-14,22,25,27,29,31-32,44H,15-21,23-24H2,1-9H3,(H,42,47)(H,45,46)/t25-,27+,29-,31-,32+,36-,37+,38-,39+,40-,41+/m0/s1	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	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50188385 ((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...) Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18| Show InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50244365 (13-Methoxy-3,3-dimethyl-11-(3-methyl-but-2-enyl)-7...) Show SMILES [#6]-[#8]-c1c2-[#6]=[#6]C([#6])([#6])[#8]-c2cc2-[#8]-[#6]-[#6]-3-[#6](-[#8]-c4c-3ccc(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-c12 |c:4| Show InChI InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)9-8-15-18-13-29-21-12-20-17(10-11-26(3,4)31-20)24(28-5)22(21)25(18)30-23(15)16/h6,8-12,18,25,27H,7,13H2,1-5H3	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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50244327 ((8R,9S,13S,14S,17S)-13-methyl-3-(tetrahydro-2H-pyr...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCCO5)ccc34)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C23H32O3/c1-23-12-11-18-17-8-6-16(26-22-4-2-3-13-25-22)14-15(17)5-7-19(18)20(23)9-10-21(23)24/h6,8,14,18-22,24H,2-5,7,9-13H2,1H3/t18-,19-,20+,21+,22?,23+/m1/s1	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM26664 (7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair

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