Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with all data for entry = 50041543   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174295 (4-methyl-3-(2-(trifluoromethyl)phenyl)-5-(4-(3-(4-...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H23F6N5O3S/c1-38-21(18-4-2-3-5-19(18)26(28,29)30)35-36-22(38)24-10-13-25(14-11-24,15-12-24)23-34-20(37-41-23)16-6-8-17(9-7-16)42(39,40)27(31,32)33/h2-9H,10-15H2,1H3	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	1.91	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174298 (3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174281 (4-methyl-3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5-(2...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C23H30F3N3/c1-3-4-7-10-21-11-14-22(15-12-21,16-13-21)20-28-27-19(29(20)2)17-8-5-6-9-18(17)23(24,25)26/h5-6,8-9H,3-4,7,10-16H2,1-2H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174297 (3-(4-(3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl)...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H22F5N5O/c1-36-21(16-4-2-3-5-18(16)26(29,30)31)33-34-22(36)24-8-11-25(12-9-24,13-10-24)23-32-20(35-37-23)17-7-6-15(27)14-19(17)28/h2-7,14H,8-13H2,1H3	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	2.57	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174283 (3-(4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(Cl)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23ClF3N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3	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	3.98	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174278 (2-methoxy-5-(5-(4-(4-methyl-5-(2-(trifluoromethyl)...) Show SMILES COc1ccc(cn1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C26H25F3N6O2/c1-35-21(17-5-3-4-6-18(17)26(27,28)29)32-33-22(35)24-9-12-25(13-10-24,14-11-24)23-31-20(34-37-23)16-7-8-19(36-2)30-15-16/h3-8,15H,9-14H2,1-2H3	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	4.07	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174301 (4-methyl-3-(4-(3-(3-(methylsulfonyl)phenyl)-1,2,4-...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1cccc(c1)S(C)(=O)=O)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H26F3N5O3S/c1-35-22(19-8-3-4-9-20(19)27(28,29)30)32-33-23(35)25-10-13-26(14-11-25,15-12-25)24-31-21(34-38-24)17-6-5-7-18(16-17)39(2,36)37/h3-9,16H,10-15H2,1-2H3	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	4.17	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411932 (CHEMBL403283) Show SMILES Cn1c(cnc1C12CCC(CC1)(CC2)c1nnc([nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H25F4N5/c1-36-21(19-4-2-3-5-20(19)27(29,30)31)16-32-24(36)26-13-10-25(11-14-26,12-15-26)23-33-22(34-35-23)17-6-8-18(28)9-7-17/h2-9,16H,10-15H2,1H3,(H,33,34,35)	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	4.68	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174284 (4-methyl-3-(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H26F3N5O3S/c1-35-22(19-5-3-4-6-20(19)27(28,29)30)32-33-23(35)25-11-14-26(15-12-25,16-13-25)24-31-21(34-38-24)17-7-9-18(10-8-17)39(2,36)37/h3-10H,11-16H2,1-2H3	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411927 (CHEMBL407945) Show SMILES CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:18.19,wD:25.32,TLB:17:18:26.21.22:24,18:19:26:22.23.24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(24.88,-39.51,;24.1,-38.2,;23.27,-36.87,;25.41,-37.39,;26.77,-38.13,;26.81,-39.68,;28.16,-40.41,;29.48,-39.61,;29.44,-38.06,;28.08,-37.32,;30.83,-40.34,;31.04,-41.86,;32.55,-42.14,;33.28,-40.79,;32.22,-39.67,;22.79,-39.01,;22.85,-40.56,;21.42,-38.3,;20.12,-39.12,;20.15,-40.64,;19.18,-41.95,;17.76,-41.42,;17.71,-39.84,;18.71,-38.58,;17.38,-39.1,;17.43,-40.58,;16.27,-41.88,;18.77,-41.03,;15.94,-40.17,;14.85,-41.26,;15.54,-38.69,)| Show InChI InChI=1S/C23H29N5O3/c1-22(2,31-18-5-4-17(13-25-18)28-7-3-6-26-28)21(30)27-19-15-8-14-9-16(19)12-23(10-14,11-15)20(24)29/h3-7,13-16,19H,8-12H2,1-2H3,(H2,24,29)(H,27,30)/t14?,15?,16?,19-,23-	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	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192679 ((3r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17-	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	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411936 (CHEMBL402046) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCn12 Show InChI InChI=1S/C20H33N3/c1-2-3-6-9-19-10-13-20(14-11-19,15-12-19)18-22-21-17-8-5-4-7-16-23(17)18/h2-16H2,1H3	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	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13756 ((1R,3R,4S,7S)-4-(2-methyl-2-phenoxypropanamido)ada...) Show SMILES CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13-,14+,15?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411933 (CHEMBL257059) Show SMILES Cn1c(cnc1C12CCC(CC1)(CC2)c1nc(c[nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H26F4N4/c1-36-23(20-4-2-3-5-21(20)28(30,31)32)17-34-25(36)27-13-10-26(11-14-27,12-15-27)24-33-16-22(35-24)18-6-8-19(29)9-7-18/h2-9,16-17H,10-15H2,1H3,(H,33,35)	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	5.25	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13760 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H27ClN2O3/c1-20(2,27-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25/h3-6,12-14,17H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13761 ((1R,3R,4S,7S)-4-[2-(4-methoxyphenoxy)-2-methylprop...) Show SMILES COc1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@@H]2C[C@](C4)(C3)C(N)=O)cc1 |r,wU:16.15,18.17,13.12,wD:20.25,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(19.76,-3.29,;18.43,-2.52,;17.1,-3.29,;15.76,-2.52,;14.43,-3.29,;14.43,-4.83,;12.94,-5.22,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,;15.76,-5.6,;17.1,-4.83,)| Show InChI InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13-,14+,15?,18+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.03	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411930 (CHEMBL257011) Show SMILES CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:14.14,wD:21.27,TLB:13:14:22.17.18:20,14:15:22:18.19.20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(27.85,-18.03,;27.07,-16.72,;26.25,-15.4,;28.39,-15.91,;29.74,-16.65,;29.78,-18.2,;31.13,-18.93,;32.44,-18.13,;33.8,-18.86,;32.4,-16.58,;31.04,-15.85,;25.76,-17.54,;25.82,-19.08,;24.4,-16.82,;23.1,-17.64,;23.13,-19.16,;22.16,-20.46,;20.74,-19.94,;20.7,-18.36,;21.7,-17.1,;20.37,-17.62,;20.42,-19.1,;19.26,-20.4,;21.75,-19.55,;18.92,-18.69,;17.84,-19.77,;18.53,-17.21,)| Show InChI InChI=1S/C20H26BrN3O3/c1-19(2,27-15-4-3-14(21)10-23-15)18(26)24-16-12-5-11-6-13(16)9-20(7-11,8-12)17(22)25/h3-4,10-13,16H,5-9H2,1-2H3,(H2,22,25)(H,24,26)/t11?,12?,13?,16-,20-	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	6.03	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174292 (3-(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nnc(o1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-20(18-4-2-3-5-19(18)26(28,29)30)31-33-22(35)24-10-13-25(14-11-24,15-12-24)23-34-32-21(36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3	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	7.24	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13757 ((1R,3R,4S,7S)-4-[2-(2-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H26ClNO4/c1-20(2,27-16-6-4-3-5-15(16)22)18(24)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174290 (4-(5-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)b...) Show SMILES COc1cc(O)ccc1-c1nnc(n1C)C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H26FN5O3/c1-32-22(19-8-7-18(33)15-20(19)34-2)29-30-23(32)25-9-12-26(13-10-25,14-11-25)24-28-21(31-35-24)16-3-5-17(27)6-4-16/h3-8,15,33H,9-14H2,1-2H3	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	8.51	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13770 (2-(4-chlorophenoxy)-N-[(1R,2S,5R,7S)-5-(hydroxymet...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](CO)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:25:21:18:16.15.14,THB:16:17:20:25.15.14,24:17:14:25.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;3.21,-7.32,;6.26,-7.03,)| Show InChI InChI=1S/C21H28ClNO3/c1-20(2,26-17-5-3-16(22)4-6-17)19(25)23-18-14-7-13-8-15(18)11-21(9-13,10-14)12-24/h3-6,13-15,18,24H,7-12H2,1-2H3,(H,23,25)/t13-,14+,15?,18+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411935 (CHEMBL271211) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C26H24F3N5O2/c1-34-21(17-4-8-19(9-5-17)35-24(28)29)31-32-22(34)25-10-13-26(14-11-25,15-12-25)23-30-20(33-36-23)16-2-6-18(27)7-3-16/h2-9,24H,10-15H2,1H3	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	9.33	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174286 (3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C26H26FN5O3S/c1-32-22(19-5-3-4-6-20(19)36(2,33)34)29-30-23(32)25-11-14-26(15-12-25,16-13-25)24-28-21(31-35-24)17-7-9-18(27)10-8-17/h3-10H,11-16H2,1-2H3	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	9.77	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411942 (CHEMBL404185) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](Cc1ncc[nH]1)(C3)C2 |wU:14.14,wD:21.23,TLB:13:14:28.17.18:20,14:15:28:18.19.20,THB:16:17:20:29.15.14,16:15:28.17.18:20,14:19:28:29.16.15,(5.06,-20.32,;4.28,-19.01,;3.46,-17.69,;5.59,-18.2,;6.95,-18.94,;6.99,-20.49,;8.34,-21.22,;9.66,-20.42,;11.01,-21.15,;9.61,-18.87,;8.25,-18.13,;2.97,-19.83,;3.03,-21.37,;1.61,-19.11,;.3,-19.93,;.34,-21.45,;-.64,-22.75,;-2.05,-22.23,;-2.1,-20.65,;-1.1,-19.39,;-2.43,-19.91,;-2.38,-21.39,;-3.88,-20.98,;-4.96,-22.07,;-6.47,-21.82,;-7.17,-23.19,;-6.09,-24.27,;-4.72,-23.58,;-3.54,-22.69,;-1.04,-21.84,)| Show InChI InChI=1S/C24H30ClN3O2/c1-23(2,30-19-5-3-18(25)4-6-19)22(29)28-21-16-9-15-10-17(21)13-24(11-15,12-16)14-20-26-7-8-27-20/h3-8,15-17,21H,9-14H2,1-2H3,(H,26,27)(H,28,29)/t15?,16?,17?,21-,24-	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411946 (CHEMBL401923) Show SMILES CCCn1c(CC)nnc1C12CC3CC(CC(C3)C1)C2 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10,9:10:13:17.16.15| Show InChI InChI=1S/C17H27N3/c1-3-5-20-15(4-2)18-19-16(20)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,3-11H2,1-2H3	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	11.0	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411943 (CHEMBL270185) Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2COCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,THB:24:22:15:17.18.19,14:15:17.18.19:21.22.23,(26.98,-24.8,;26.19,-23.49,;25.37,-22.17,;27.5,-22.69,;28.86,-23.43,;28.89,-24.97,;30.25,-25.71,;31.56,-24.9,;31.52,-23.35,;30.17,-22.62,;32.92,-25.64,;34.27,-26.37,;24.89,-24.31,;24.95,-25.85,;23.52,-23.6,;22.22,-24.42,;20.72,-24.38,;18.93,-24.73,;18.39,-23.28,;19.55,-23.89,;21.28,-23.53,;21.04,-21.85,;19.55,-21.82,;20.45,-22.63,;18.12,-21.26,;16.91,-22.22,;17.89,-19.74,)| Show InChI InChI=1S/C19H24N4O4/c1-19(2,27-15-4-3-11(7-20)8-22-15)18(25)23-16-13-5-12(17(21)24)6-14(16)10-26-9-13/h3-4,8,12-14,16H,5-6,9-10H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13?,14?,16+	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	11.0	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) Show SMILES CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)c1nnn[nH]1 |r,wU:18.18,20.20,15.15,wD:22.28,TLB:24:22:19:17.16.15,THB:17:18:21:24.16.15,23:18:15:24.21.22,25:22:19:17.16.15,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.76,-6.71,;1.9,-7.99,;.42,-7.57,;.36,-6.03,;1.8,-5.5,)| Show InChI InChI=1S/C21H25ClFN5O2/c1-20(2,30-16-4-3-14(23)7-15(16)22)19(29)24-17-12-5-11-6-13(17)10-21(8-11,9-12)18-25-27-28-26-18/h3-4,7,11-13,17H,5-6,8-10H2,1-2H3,(H,24,29)(H,25,26,27,28)/t11-,12+,13?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11.0	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13768 (N-[(1R,2S,5R,7S)-5-[(carbamoylmethyl)carbamoyl]ada...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCC(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;.24,-10.16,)| Show InChI InChI=1S/C23H30ClN3O4/c1-22(2,31-17-5-3-16(24)4-6-17)20(29)27-19-14-7-13-8-15(19)11-23(9-13,10-14)21(30)26-12-18(25)28/h3-6,13-15,19H,7-12H2,1-2H3,(H2,25,28)(H,26,30)(H,27,29)/t13-,14+,15?,19+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.0	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192686 (4-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C19H25ClN2O3/c1-17(2,25-14-5-3-13(20)4-6-14)16(24)22-19-10-7-18(8-11-19,9-12-19)15(21)23/h3-6H,7-12H2,1-2H3,(H2,21,23)(H,22,24)	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	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411926 (CHEMBL403215) Show SMILES CC(C)(C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)c1ccc(cn1)C#N |wU:6.5,wD:13.18,TLB:5:6:14.9.10:12,6:7:14:10.11.12,THB:8:9:12:15.7.6,8:7:14.9.10:12,6:11:14:15.8.7,(2.38,-1.41,;1.6,-.09,;.77,1.23,;.29,-.91,;.35,-2.46,;-1.08,-.2,;-2.38,-1.02,;-2.35,-2.54,;-3.32,-3.84,;-4.74,-3.32,;-4.79,-1.74,;-3.79,-.48,;-5.12,-1,;-5.07,-2.48,;-6.23,-3.78,;-3.73,-2.93,;-6.56,-2.07,;-7.65,-3.16,;-6.96,-.59,;2.91,.7,;4.24,-.09,;5.59,.67,;5.6,2.21,;4.26,3,;2.92,2.24,;6.94,2.96,;8.27,3.72,)| Show InChI InChI=1S/C21H26N4O2/c1-20(2,16-4-3-12(10-22)11-24-16)19(27)25-17-14-5-13-6-15(17)9-21(7-13,8-14)18(23)26/h3-4,11,13-15,17H,5-9H2,1-2H3,(H2,23,26)(H,25,27)/t13?,14?,15?,17-,21-	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	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50241490 (CHEMBL257010 | N-(3-((4aR,8aS)-decahydroquinoline-...) Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC[C@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C23H26N2O2/c26-22(18-9-2-1-3-10-18)24-20-13-6-11-19(16-20)23(27)25-15-7-12-17-8-4-5-14-21(17)25/h1-3,6,9-11,13,16-17,21H,4-5,7-8,12,14-15H2,(H,24,26)/t17-,21+/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	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13758 ((1R,3R,4S,7S)-4-[2-(3-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;18.43,-5.6,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H26ClNO4/c1-20(2,27-16-5-3-4-15(22)8-16)18(24)23-17-13-6-12-7-14(17)11-21(9-12,10-13)19(25)26/h3-5,8,12-14,17H,6-7,9-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192673 (2-(4-chloro-phenoxy)-N-(1-hydroxy-2-oxa-tricyclo[3...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)| Show InChI InChI=1S/C19H24ClNO4/c1-18(2,24-14-5-3-13(20)4-6-14)17(22)21-16-11-7-15-8-12(16)10-19(23,9-11)25-15/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,21,22)/t11?,12?,15?,16-,19?	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	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13764 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)-c1nnn[nH]1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-4.23,-12.39,;-5.77,-12.39,;-6.25,-10.93,;-5,-10.03,)| Show InChI InChI=1S/C29H33ClN6O3/c1-28(2,39-23-9-7-22(30)8-10-23)26(37)32-24-20-11-18-12-21(24)15-29(13-18,14-20)27(38)31-16-17-3-5-19(6-4-17)25-33-35-36-34-25/h3-10,18,20-21,24H,11-16H2,1-2H3,(H,31,38)(H,32,37)(H,33,34,35,36)/t18-,20+,21?,24+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174287 (1-methyl-5-(5-(4-(4-methyl-5-(2-(trifluoromethyl)p...) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(=O)n(C)c1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H25F3N6O2/c1-34-15-16(7-8-19(34)36)20-30-23(37-33-20)25-12-9-24(10-13-25,11-14-25)22-32-31-21(35(22)2)17-5-3-4-6-18(17)26(27,28)29/h3-8,15H,9-14H2,1-2H3	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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411944 (CHEMBL255148) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:14.14,21.25,THB:23:21:14:16.17.18,13:14:16.17.18:20.21.22,(25.58,-1.61,;24.79,-.3,;23.97,1.02,;26.1,.5,;27.46,-.23,;27.49,-1.78,;28.85,-2.51,;30.16,-1.71,;31.52,-2.44,;30.12,-.16,;28.77,.57,;23.49,-1.12,;23.55,-2.66,;22.12,-.4,;20.82,-1.22,;19.32,-1.19,;17.53,-1.53,;16.99,-.09,;18.15,-.69,;19.88,-.34,;19.64,1.34,;18.15,1.37,;19.05,.56,;16.72,1.93,;15.51,.97,;16.49,3.46,)| Show InChI InChI=1S/C20H27ClN2O3/c1-20(2,26-16-8-6-15(21)7-9-16)19(25)23-17-12-4-3-5-13(17)11-14(10-12)18(22)24/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H2,22,24)(H,23,25)/t12?,13?,14-,17+	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	21.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13759 ((1R,3R,4S,7S)-4-[2-(4-chlorophenoxy)-2-methylpropa...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H26ClNO4/c1-20(2,27-16-5-3-15(22)4-6-16)18(24)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+,14?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411934 (CHEMBL402558) Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccc(C=O)cc1Cl Show InChI InChI=1S/C26H23ClFN5O2/c1-33-22(19-7-2-16(15-34)14-20(19)27)30-31-23(33)25-8-11-26(12-9-25,13-10-25)24-29-21(32-35-24)17-3-5-18(28)6-4-17/h2-7,14-15H,8-13H2,1H3	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	21.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192674 (4-(2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)...) Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O Show InChI InChI=1S/C23H32F3N5O2/c1-20(2,19(33)29-22-8-5-21(6-9-22,7-10-22)18(27)32)31-13-11-30(12-14-31)17-4-3-16(15-28-17)23(24,25)26/h3-4,15H,5-14H2,1-2H3,(H2,27,32)(H,29,33)	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	22.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192675 ((7r,9r)-9-(2-(4-chlorophenoxy)-2-methylpropanamido...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)| Show InChI InChI=1S/C19H25ClN2O4/c1-19(2,26-15-5-3-14(20)4-6-15)18(24)22-16-12-7-11(17(21)23)8-13(16)10-25-9-12/h3-6,11-13,16H,7-10H2,1-2H3,(H2,21,23)(H,22,24)/t11-,12?,13?,16-	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	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411929 (CHEMBL404399) Show SMILES CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:15.15,wD:22.28,TLB:14:15:23.18.19:21,15:16:23:19.20.21,THB:17:18:21:24.16.15,17:16:23.18.19:21,15:20:23:24.17.16,(2.8,-30.86,;2.01,-29.55,;1.19,-28.23,;3.33,-28.74,;4.68,-29.48,;4.72,-31.03,;6.07,-31.76,;7.39,-30.96,;7.34,-29.41,;5.99,-28.67,;8.73,-31.68,;10.08,-32.41,;.71,-30.37,;.77,-31.91,;-.66,-29.65,;-1.96,-30.47,;-1.93,-31.99,;-2.9,-33.29,;-4.31,-32.77,;-4.36,-31.19,;-3.36,-29.93,;-4.69,-30.45,;-4.64,-31.92,;-5.8,-33.23,;-3.31,-32.38,;-6.13,-31.52,;-7.22,-32.6,;-6.53,-30.04,)| Show InChI InChI=1S/C21H26N4O3/c1-20(2,28-16-4-3-12(10-22)11-24-16)19(27)25-17-14-5-13-6-15(17)9-21(7-13,8-14)18(23)26/h3-4,11,13-15,17H,5-9H2,1-2H3,(H2,23,26)(H,25,27)/t13?,14?,15?,17-,21-	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	28.2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411940 (CHEMBL256800) Show SMILES CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:14.14,wD:21.27,TLB:13:14:22.17.18:20,14:15:22:18.19.20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(7.66,-12,;6.34,-11.21,;5,-11.97,;4.98,-13.51,;3.64,-14.27,;2.31,-13.47,;2.31,-11.94,;3.66,-11.18,;.99,-14.27,;1.78,-15.58,;.17,-12.95,;-.32,-15.09,;-.26,-16.63,;-1.68,-14.37,;-2.98,-15.19,;-2.95,-16.72,;-3.93,-18.02,;-5.35,-17.5,;-5.39,-15.92,;-4.39,-14.66,;-5.72,-15.17,;-5.67,-16.65,;-6.83,-17.96,;-4.34,-17.1,;-7.17,-16.25,;-8.26,-17.33,;-7.56,-14.76,)| Show InChI InChI=1S/C21H30N4O2/c1-20(2,15-4-5-16(23-3)24-11-15)19(27)25-17-13-6-12-7-14(17)10-21(8-12,9-13)18(22)26/h4-5,11-14,17H,6-10H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27)/t12?,13?,14?,17-,21-	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	28.8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411931 (CHEMBL429501) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](Cc1nnc(N)[nH]1)(C3)C2 |wU:14.14,wD:21.23,TLB:13:14:29.17.18:20,14:15:29:18.19.20,THB:16:17:20:30.15.14,16:15:29.17.18:20,14:19:29:30.16.15,(26.3,-8,;25.51,-6.69,;24.69,-5.36,;26.83,-5.88,;28.18,-6.62,;28.22,-8.16,;29.57,-8.9,;30.89,-8.1,;32.24,-8.83,;30.84,-6.55,;29.49,-5.81,;24.21,-7.5,;24.27,-9.04,;22.84,-6.79,;21.54,-7.61,;21.57,-9.13,;20.6,-10.43,;19.19,-9.91,;19.14,-8.33,;20.14,-7.07,;18.81,-7.58,;18.86,-9.06,;17.37,-8.66,;16.28,-9.74,;14.77,-9.5,;14.07,-10.86,;15.15,-11.95,;14.91,-13.46,;16.52,-11.26,;17.7,-10.37,;20.19,-9.51,)| Show InChI InChI=1S/C23H30ClN5O2/c1-22(2,31-17-5-3-16(24)4-6-17)20(30)27-19-14-7-13-8-15(19)11-23(9-13,10-14)12-18-26-21(25)29-28-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,27,30)(H3,25,26,28,29)/t13?,14?,15?,19-,23-	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	34.7	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13755 ((1R,3R,4S,7S)-4-(2-methyl-2-phenoxypropanamido)ada...) Show SMILES CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)| Show InChI InChI=1S/C21H27NO4/c1-20(2,26-16-6-4-3-5-7-16)18(23)22-17-14-8-13-9-15(17)12-21(10-13,11-14)19(24)25/h3-7,13-15,17H,8-12H2,1-2H3,(H,22,23)(H,24,25)/t13-,14+,15?,17+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192790 (2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxy...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)| Show InChI InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/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	38.9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192789 (2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)| Show InChI InChI=1S/C22H28ClN5O2/c1-21(2,30-17-5-3-16(23)4-6-17)20(29)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18-25-27-28-26-18/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,29)(H,25,26,27,28)/t13-,14-,15?,19+,22+/m0/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	40.7	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411928 (CHEMBL269973) Show SMILES CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:19.20,wD:26.33,TLB:18:19:27.22.23:25,19:20:27:23.24.25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(27.19,-28.8,;26.4,-27.48,;25.58,-26.16,;27.72,-26.68,;29.08,-27.42,;29.11,-28.96,;30.47,-29.7,;31.78,-28.9,;31.74,-27.35,;30.38,-26.61,;33.13,-29.63,;33.16,-31.16,;34.5,-31.89,;35.82,-31.1,;35.78,-29.56,;34.43,-28.82,;25.1,-28.3,;25.16,-29.84,;23.73,-27.59,;22.43,-28.41,;22.46,-29.93,;21.49,-31.23,;20.07,-30.71,;20.02,-29.13,;21.02,-27.87,;19.69,-28.38,;19.74,-29.86,;18.59,-31.17,;21.08,-30.32,;18.25,-29.46,;17.16,-30.54,;17.86,-27.98,)| Show InChI InChI=1S/C24H34N4O4/c1-23(2,32-19-4-3-18(14-26-19)28-5-7-31-8-6-28)22(30)27-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h3-4,14-17,20H,5-13H2,1-2H3,(H2,25,29)(H,27,30)/t15?,16?,17?,20-,24-	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	43.6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192676 ((3r,9r)-9-(2-methyl-2-(4-(5-(trifluoromethyl)pyrid...) Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:29.34,wD:22.23,TLB:21:22:26.25.24:30.29.28,31:29:26.25.24:22,(2.38,-31.91,;1.05,-31.13,;-.3,-31.88,;2.38,-30.36,;3.72,-31.14,;5.05,-30.38,;5.06,-28.84,;3.73,-28.07,;2.39,-28.83,;6.39,-28.08,;6.4,-26.54,;7.73,-25.78,;9.07,-26.55,;9.06,-28.09,;7.73,-28.86,;10.41,-25.79,;11.73,-25,;11.18,-27.12,;9.63,-24.45,;-.28,-30.36,;-.28,-28.82,;-1.62,-31.13,;-2.94,-30.36,;-3.96,-31.16,;-3.84,-32.92,;-4.66,-33.85,;-3.21,-33.8,;-3.19,-31.84,;-4.96,-31.86,;-6.07,-32.63,;-5.66,-31.16,;-7.4,-31.86,;-7.41,-30.31,;-8.75,-32.63,)| Show InChI InChI=1S/C24H33F3N4O3/c1-23(2,22(34)29-20-15-4-3-5-16(20)13-17(12-15)21(32)33)31-10-8-30(9-11-31)19-7-6-18(14-28-19)24(25,26)27/h6-7,14-17,20H,3-5,8-13H2,1-2H3,(H,29,34)(H,32,33)/t15?,16?,17-,20-	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	43.6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50192801 (CHEMBL220414 | {(1R,4S,5R,7S)-4-[2-(4-chloro-pheno...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)| Show InChI InChI=1S/C22H28ClNO4/c1-21(2,28-17-5-3-16(23)4-6-17)20(27)24-19-14-7-13-8-15(19)11-22(9-13,10-14)12-18(25)26/h3-6,13-15,19H,7-12H2,1-2H3,(H,24,27)(H,25,26)/t13-,14-,15?,19+,22+/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	44.7	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50411925 (CHEMBL404703) Show SMILES CC(C)(C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)c1ccc(nc1)N1CCOCC1 |wU:6.5,wD:13.18,TLB:5:6:14.9.10:12,6:7:14:10.11.12,THB:8:9:12:15.7.6,8:7:14.9.10:12,6:11:14:15.8.7,(22.24,-1.69,;21.45,-.37,;20.63,.95,;20.14,-1.19,;20.2,-2.74,;18.77,-.48,;17.47,-1.3,;17.5,-2.82,;16.53,-4.13,;15.11,-3.6,;15.06,-2.02,;16.06,-.76,;14.73,-1.27,;14.78,-2.76,;13.62,-4.06,;16.12,-3.21,;13.29,-2.35,;12.2,-3.44,;12.89,-.87,;22.76,.42,;24.1,-.37,;25.44,.39,;25.46,1.93,;24.12,2.72,;22.77,1.96,;26.79,2.69,;28.12,1.9,;29.45,2.64,;29.47,4.18,;28.15,4.97,;26.8,4.21,)| Show InChI InChI=1S/C24H34N4O3/c1-23(2,18-3-4-19(26-14-18)28-5-7-31-8-6-28)22(30)27-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h3-4,14-17,20H,5-13H2,1-2H3,(H2,25,29)(H,27,30)/t15?,16?,17?,20-,24-	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	46.8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1				Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0
					More data for this Ligand-Target Pair

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