Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'flyrén' and Initial = 'k'   

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))	BDBM50216902 (2-(adamantan-1-ylamino)-5,5-diethyl-oxazol-4-one |...) Show SMILES CCC1(CC)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:7:8:11:15.13.14,THB:16:14:11:17.8.9,16:8:11:15.13.14,13:12:9:15.14.16,13:14:11.12.17:9| Show InChI InChI=1S/C17H26N2O2/c1-3-17(4-2)14(20)18-15(21-17)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216921 (2-(1-adamantylamino)-1-oxa-3-azaspiro[4.4]non-2-en...) Show SMILES O=C1N=C(NC23CC4CC(CC(C4)C2)C3)OC11CCCC1 |t:2,TLB:4:5:8:12.10.11,THB:13:11:8:14.5.6,13:5:8:12.10.11,10:9:6:12.11.13,10:11:8.9.14:6| Show InChI InChI=1S/C17H24N2O2/c20-14-17(3-1-2-4-17)21-15(18-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216904 (2-(adamantan-1-ylamino)-5-isopropyl-5-methyl-oxazo...) Show SMILES CC(C)C1(C)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:7:8:11:15.13.14,THB:16:14:11:17.8.9,16:8:11:15.13.14,13:12:9:15.14.16,13:14:11.12.17:9| Show InChI InChI=1S/C17H26N2O2/c1-10(2)16(3)14(20)18-15(21-16)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,4-9H2,1-3H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216910 (2-(adamantan-2-ylamino)-5-isopropyl-5-methyl-oxazo...) Show SMILES CC(C)C1(C)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O |c:20,TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(-1.08,-29.52,;.46,-29.4,;1.33,-30.67,;1.12,-28.01,;2.66,-28.14,;-.4,-27.79,;-.62,-26.32,;-1.96,-25.56,;-3.22,-26.43,;-3.23,-27.96,;-4.63,-28.3,;-5.96,-27.82,;-7.16,-29.09,;-5.66,-28.67,;-4.25,-29.24,;-5.67,-27.08,;-4.62,-25.85,;-5.97,-26.33,;.72,-25.55,;1.82,-26.64,;3.34,-26.39,)| Show InChI InChI=1S/C17H26N2O2/c1-9(2)17(3)15(20)19-16(21-17)18-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14H,4-8H2,1-3H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216915 (2-(2-adamantylamino)-5-methyl-5-(trifluoromethyl)-...) Show SMILES CC1(OC(NC2C3CC4CC(C3)CC2C4)=NC1=O)C(F)(F)F |c:17,TLB:11:10:14:7.6.5,11:6:9.10.12:14,THB:4:5:9.10.12:14,5:6:9:12.13.14,5:13:9:7.11.6,(17.02,-20.6,;15.48,-20.47,;13.96,-20.25,;13.74,-18.78,;12.4,-18.01,;11.14,-18.89,;11.13,-20.41,;9.72,-20.76,;8.39,-20.27,;7.2,-21.55,;8.7,-21.13,;10.11,-21.7,;8.69,-19.54,;9.74,-18.3,;8.39,-18.78,;15.08,-18,;16.18,-19.1,;17.7,-18.84,;15.1,-21.96,;14.71,-23.46,;16.59,-22.35,;13.6,-21.58,)| Show InChI InChI=1S/C15H19F3N2O2/c1-14(15(16,17)18)12(21)20-13(22-14)19-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216917 (2-(cyclooctylamino)-5,5-diethyloxazol-4(5H)-one | ...) Show SMILES CCC1(CC)OC(NC2CCCCCCC2)=NC1=O |c:16| Show InChI InChI=1S/C15H26N2O2/c1-3-15(4-2)13(18)17-14(19-15)16-12-10-8-6-5-7-9-11-12/h12H,3-11H2,1-2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216931 (2-(2-adamantylamino)-5,5-diethyl-1,3-oxazol-4(5H)-...) Show SMILES CCC1(CC)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O |c:20,TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(30.39,-21.27,;29.73,-19.88,;28.2,-19.75,;27.53,-21.14,;26,-21.26,;26.67,-19.52,;26.45,-18.06,;25.12,-17.29,;23.85,-18.17,;23.84,-19.69,;22.44,-20.04,;21.11,-19.55,;19.92,-20.83,;21.42,-20.41,;22.83,-20.98,;21.41,-18.82,;22.46,-17.58,;21.11,-18.06,;27.79,-17.28,;28.89,-18.38,;30.41,-18.12,)| Show InChI InChI=1S/C17H26N2O2/c1-3-17(4-2)15(20)19-16(21-17)18-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,3-9H2,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216901 (2-cyclooctylamino-1-oxa-3-aza-spiro[4.4]non-2-en-4...) Show SMILES O=C1N=C(NC2CCCCCCC2)OC11CCCC1 |t:2| Show InChI InChI=1S/C15H24N2O2/c18-13-15(10-6-7-11-15)19-14(17-13)16-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216914 (2-(cyclooctylamino)-5-isopropyl-5-methyloxazol-4(5...) Show SMILES CC(C)C1(C)OC(NC2CCCCCCC2)=NC1=O |c:16| Show InChI InChI=1S/C15H26N2O2/c1-11(2)15(3)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h11-12H,4-10H2,1-3H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216912 (2-(cyclooctylamino)-5-methyl-5-(trifluoromethyl)ox...) Show SMILES CC1(OC(NC2CCCCCCC2)=NC1=O)C(F)(F)F |c:13| Show InChI InChI=1S/C13H19F3N2O2/c1-12(13(14,15)16)10(19)18-11(20-12)17-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216911 (2-(adamantan-2-ylamino)-1-oxa-3-aza-spiro[4.4]non-...) Show SMILES O=C1N=C(NC2C3CC4CC(C3)CC2C4)OC11CCCC1 |t:2,TLB:11:10:14:7.6.5,11:6:9.10.12:14,THB:5:6:9:12.13.14,5:13:9:7.11.6,4:5:9.10.12:14,(15.11,-27.99,;13.58,-28.24,;12.49,-27.15,;11.15,-27.92,;9.82,-27.16,;8.55,-28.03,;8.54,-29.56,;7.14,-29.9,;5.81,-29.42,;4.62,-30.69,;6.12,-30.27,;7.52,-30.84,;6.11,-28.68,;7.16,-27.45,;5.81,-27.93,;11.37,-29.39,;12.89,-29.62,;12.11,-30.95,;13.13,-32.1,;14.54,-31.48,;14.39,-29.95,)| Show InChI InChI=1S/C17H24N2O2/c20-15-17(3-1-2-4-17)21-16(19-15)18-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,1-9H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216916 (5,5-diethyl-2-[(S)-1-(2-trifluoromethyl-phenyl)-et...) Show SMILES CCC1(CC)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |c:20| Show InChI InChI=1S/C16H19F3N2O2/c1-4-15(5-2)13(22)21-14(23-15)20-10(3)11-8-6-7-9-12(11)16(17,18)19/h6-10H,4-5H2,1-3H3,(H,20,21,22)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216918 (8-benzyl-2-[(S)-1-(2-trifluoromethyl-phenyl)-ethyl...) Show SMILES C[C@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1C(F)(F)F |t:3| Show InChI InChI=1S/C23H24F3N3O2/c1-16(18-9-5-6-10-19(18)23(24,25)26)27-21-28-20(30)22(31-21)11-13-29(14-12-22)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,27,28,30)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216903 (2-(cycloheptylamino)-5-isopropyl-5-methyloxazol-4(...) Show SMILES CC(C)C1(C)OC(NC2CCCCCC2)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2O2/c1-10(2)14(3)12(17)16-13(18-14)15-11-8-6-4-5-7-9-11/h10-11H,4-9H2,1-3H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216909 (2-(3-hydroxy-adamantan-1-ylamino)-5-isopropyl-5-me...) Show SMILES CC(C)C1(C)OC(NC23CC4CC(CC(O)(C4)C2)C3)=NC1=O |c:21,TLB:15:14:11.12.18:9,7:8:11:16.13.14,THB:15:14:11:18.8.9,17:14:11:18.8.9,17:8:11:16.13.14,13:12:9:16.14.17,13:14:11.12.18:9| Show InChI InChI=1S/C17H26N2O3/c1-10(2)15(3)13(20)18-14(22-15)19-16-5-11-4-12(6-16)8-17(21,7-11)9-16/h10-12,21H,4-9H2,1-3H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216907 (5,5-diethyl-2-(3-hydroxy-adamantan-1-ylamino)-oxaz...) Show SMILES CCC1(CC)OC(NC23CC4CC(CC(O)(C4)C2)C3)=NC1=O |c:21,TLB:7:8:11:16.13.14,15:14:11.12.18:9,THB:17:14:11:18.8.9,17:8:11:16.13.14,15:14:11:18.8.9,13:12:9:16.14.17,13:14:11.12.18:9| Show InChI InChI=1S/C17H26N2O3/c1-3-17(4-2)13(20)18-14(22-17)19-15-6-11-5-12(7-15)9-16(21,8-11)10-15/h11-12,21H,3-10H2,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216928 (2-(1-adamantylamino)-1,8-dioxa-3-azaspiro[4.5]dec-...) Show SMILES O=C1N=C(NC23CC4CC(CC(C4)C2)C3)OC11CCOCC1 |t:2,TLB:4:5:8:12.10.11,THB:13:11:8:14.5.6,13:5:8:12.10.11,10:9:6:12.11.13,10:11:8.9.14:6| Show InChI InChI=1S/C17H24N2O3/c20-14-17(1-3-21-4-2-17)22-15(18-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216922 (5-isopropyl-5-methyl-2-[(S)-1-(2-trifluoromethyl-p...) Show SMILES CC(C)C1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |c:20| Show InChI InChI=1S/C16H19F3N2O2/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-7-5-6-8-12(11)16(17,18)19/h5-10H,1-4H3,(H,20,21,22)/t10-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216920 (5-isopropyl-5-methyl-2-((S)-1-phenylethylamino)oxa...) Show SMILES CC(C)C1(C)OC(N[C@@H](C)c2ccccc2)=NC1=O |c:16| Show InChI InChI=1S/C15H20N2O2/c1-10(2)15(4)13(18)17-14(19-15)16-11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)/t11-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210886 (1-(1-(3,4-dimethylbenzoyl)piperidin-4-yl)-1H-benzo...) Show SMILES Cc1ccc(cc1C)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C21H23N3O2/c1-14-7-8-16(13-15(14)2)20(25)23-11-9-17(10-12-23)24-19-6-4-3-5-18(19)22-21(24)26/h3-8,13,17H,9-12H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210884 (1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-1H...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C21H23N3O3/c1-14-7-8-15(13-19(14)27-2)20(25)23-11-9-16(10-12-23)24-18-6-4-3-5-17(18)22-21(24)26/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210892 (1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-4-...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2cccc(C)c2[nH]c1=O Show InChI InChI=1S/C22H25N3O3/c1-14-7-8-16(13-19(14)28-3)21(26)24-11-9-17(10-12-24)25-18-6-4-5-15(2)20(18)23-22(25)27/h4-8,13,17H,9-12H2,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210890 (3-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)ben...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2sc1=O Show InChI InChI=1S/C21H22N2O3S/c1-14-7-8-15(13-18(14)26-2)20(24)22-11-9-16(10-12-22)23-17-5-3-4-6-19(17)27-21(23)25/h3-8,13,16H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210899 (1-(1-(4-amino-3-methoxybenzoyl)piperidin-4-yl)-1H-...) Show SMILES COc1cc(ccc1N)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H22N4O3/c1-27-18-12-13(6-7-15(18)21)19(25)23-10-8-14(9-11-23)24-17-5-3-2-4-16(17)22-20(24)26/h2-7,12,14H,8-11,21H2,1H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210901 (1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-3-...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2n(C)c1=O Show InChI InChI=1S/C22H25N3O3/c1-15-8-9-16(14-20(15)28-3)21(26)24-12-10-17(11-13-24)25-19-7-5-4-6-18(19)23(2)22(25)27/h4-9,14,17H,10-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210895 (5-fluoro-1-(1-(3-methoxy-4-methylbenzoyl)piperidin...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O Show InChI InChI=1S/C21H22FN3O3/c1-13-3-4-14(11-19(13)28-2)20(26)24-9-7-16(8-10-24)25-18-6-5-15(22)12-17(18)23-21(25)27/h3-6,11-12,16H,7-10H2,1-2H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210902 (1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)ind...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)N1C(=O)Cc2ccccc12 Show InChI InChI=1S/C22H24N2O3/c1-15-7-8-17(13-20(15)27-2)22(26)23-11-9-18(10-12-23)24-19-6-4-3-5-16(19)14-21(24)25/h3-8,13,18H,9-12,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210898 (3-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)ben...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2oc1=O Show InChI InChI=1S/C21H22N2O4/c1-14-7-8-15(13-19(14)26-2)20(24)22-11-9-16(10-12-22)23-17-5-3-4-6-18(17)27-21(23)25/h3-8,13,16H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210888 (1-(1-(3-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d]...) Show SMILES COc1cccc(c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H21N3O3/c1-26-16-6-4-5-14(13-16)19(24)22-11-9-15(10-12-22)23-18-8-3-2-7-17(18)21-20(23)25/h2-8,13,15H,9-12H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210905 (1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-4,...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(C)c(C)c2[nH]c1=O Show InChI InChI=1S/C23H27N3O3/c1-14-6-8-19-21(16(14)3)24-23(28)26(19)18-9-11-25(12-10-18)22(27)17-7-5-15(2)20(13-17)29-4/h5-8,13,18H,9-12H2,1-4H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210904 (5-chloro-1-(1-(3-methoxy-4-methylbenzoyl)piperidin...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(Cl)cc2n(C)c1=O Show InChI InChI=1S/C22H24ClN3O3/c1-14-4-5-15(12-20(14)29-3)21(27)25-10-8-17(9-11-25)26-18-7-6-16(23)13-19(18)24(2)22(26)28/h4-7,12-13,17H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216927 ((S)-5,5-diethyl-2-(1-phenylethylamino)oxazol-4(5H)...) Show SMILES CCC1(CC)OC(N[C@@H](C)c2ccccc2)=NC1=O |c:16| Show InChI InChI=1S/C15H20N2O2/c1-4-15(5-2)13(18)17-14(19-15)16-11(3)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210896 (1-(1-(2-chloro-4-methoxypicolinoyl)piperidin-4-yl)...) Show SMILES COc1cc(Cl)nc(c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H19ClN4O3/c1-27-13-10-15(21-17(20)11-13)18(25)23-8-6-12(7-9-23)24-16-5-3-2-4-14(16)22-19(24)26/h2-5,10-12H,6-9H2,1H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210894 (5-chloro-1-(1-(3-methoxy-4-methylbenzoyl)piperidin...) Show SMILES COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C21H22ClN3O3/c1-13-3-4-14(11-19(13)28-2)20(26)24-9-7-16(8-10-24)25-18-6-5-15(22)12-17(18)23-21(25)27/h3-6,11-12,16H,7-10H2,1-2H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210903 (1-(1-(benzofuran-6-carbonyl)piperidin-4-yl)-1H-ben...) Show SMILES O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccoc2c1 Show InChI InChI=1S/C21H19N3O3/c25-20(15-6-5-14-9-12-27-19(14)13-15)23-10-7-16(8-11-23)24-18-4-2-1-3-17(18)22-21(24)26/h1-6,9,12-13,16H,7-8,10-11H2,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216926 (CHEMBL236478 | l-2-((S)-1-phenyl-ethylamino)-1-oxa...) Show SMILES C[C@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 |t:3| Show InChI InChI=1S/C22H25N3O2/c1-17(19-10-6-3-7-11-19)23-21-24-20(26)22(27-21)12-14-25(15-13-22)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3,(H,23,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216913 (5-isopropyl-5-methyl-2-((R)-1-phenylethylamino)oxa...) Show SMILES CC(C)C1(C)OC(N[C@H](C)c2ccccc2)=NC1=O |c:16| Show InChI InChI=1S/C15H20N2O2/c1-10(2)15(4)13(18)17-14(19-15)16-11(3)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,17,18)/t11-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	871	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216925 (2-(2,3-dihydro-1H-inden-2-ylamino)-5,5-diethyloxaz...) Show SMILES CCC1(CC)OC(NC2Cc3ccccc3C2)=NC1=O |c:18| Show InChI InChI=1S/C16H20N2O2/c1-3-16(4-2)14(19)18-15(20-16)17-13-9-11-7-5-6-8-12(11)10-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	879	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210897 (1-(1-(benzo[d][1,3]dioxole-6-carbonyl)piperidin-4-...) Show SMILES O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H19N3O4/c24-19(13-5-6-17-18(11-13)27-12-26-17)22-9-7-14(8-10-22)23-16-4-2-1-3-15(16)21-20(23)25/h1-6,11,14H,7-10,12H2,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210887 (1-(1-(2,3-dimethylbenzoyl)piperidin-4-yl)-1H-benzo...) Show SMILES Cc1cccc(C(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1C Show InChI InChI=1S/C21H23N3O2/c1-14-6-5-7-17(15(14)2)20(25)23-12-10-16(11-13-23)24-19-9-4-3-8-18(19)22-21(24)26/h3-9,16H,10-13H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210882 (1-(1-(2-(trifluoromethyl)benzoyl)piperidin-4-yl)-1...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H18F3N3O2/c21-20(22,23)15-6-2-1-5-14(15)18(27)25-11-9-13(10-12-25)26-17-8-4-3-7-16(17)24-19(26)28/h1-8,13H,9-12H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216900 (8-benzyl-2-((R)-1-phenyl-ethylamino)-1-oxa-3,8-dia...) Show SMILES C[C@@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 |t:3| Show InChI InChI=1S/C22H25N3O2/c1-17(19-10-6-3-7-11-19)23-21-24-20(26)22(27-21)12-14-25(15-13-22)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3,(H,23,24,26)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216924 (2-cycloheptylamino-1,8-dioxa-3-aza-spiro[4.5]dec-2...) Show SMILES O=C1N=C(NC2CCCCCC2)OC11CCOCC1 |t:2| Show InChI InChI=1S/C14H22N2O3/c17-12-14(7-9-18-10-8-14)19-13(16-12)15-11-5-3-1-2-4-6-11/h11H,1-10H2,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210889 (1-(1-(4-tert-butylbenzoyl)piperidin-4-yl)-1H-benzo...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H27N3O2/c1-23(2,3)17-10-8-16(9-11-17)21(27)25-14-12-18(13-15-25)26-20-7-5-4-6-19(20)24-22(26)28/h4-11,18H,12-15H2,1-3H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210885 (1-(1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl)-1H-...) Show SMILES Cc1ccc(cc1F)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H20FN3O2/c1-13-6-7-14(12-16(13)21)19(25)23-10-8-15(9-11-23)24-18-5-3-2-4-17(18)22-20(24)26/h2-7,12,15H,8-11H2,1H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216919 (2-(benzylamino)-5,5-diethyloxazol-4(5H)-one | CHEM...) Show SMILES CCC1(CC)OC(NCc2ccccc2)=NC1=O |c:15| Show InChI InChI=1S/C14H18N2O2/c1-3-14(4-2)12(17)16-13(18-14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210891 (1-(1-(4-(trifluoromethyl)benzoyl)piperidin-4-yl)-1...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H18F3N3O2/c21-20(22,23)14-7-5-13(6-8-14)18(27)25-11-9-15(10-12-25)26-17-4-2-1-3-16(17)24-19(26)28/h1-8,15H,9-12H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50216908 ((S)-2-(1-(4-bromophenyl)ethylamino)-5,5-diethyloxa...) Show SMILES CCC1(CC)OC(N[C@@H](C)c2ccc(Br)cc2)=NC1=O |c:17| Show InChI InChI=1S/C15H19BrN2O2/c1-4-15(5-2)13(19)18-14(20-15)17-10(3)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3,(H,17,18,19)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Binding affinity to human 11beta-HSD1 by SPA assay				Bioorg Med Chem Lett 17: 4837-40 (2007) Article DOI: 10.1016/j.bmcl.2007.06.054 BindingDB Entry DOI: 10.7270/Q2MP52ZC
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210881 (1-(1-(3-(trifluoromethyl)benzoyl)piperidin-4-yl)-1...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H18F3N3O2/c21-20(22,23)14-5-3-4-13(12-14)18(27)25-10-8-15(9-11-25)26-17-7-2-1-6-16(17)24-19(26)28/h1-7,12,15H,8-11H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50210900 (1-(1-(2-fluorobenzoyl)piperidin-4-yl)-1H-benzo[d]i...) Show SMILES Fc1ccccc1C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C19H18FN3O2/c20-15-6-2-1-5-14(15)18(24)22-11-9-13(10-12-22)23-17-8-4-3-7-16(17)21-19(23)25/h1-8,13H,9-12H2,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 3421-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.083 BindingDB Entry DOI: 10.7270/Q2GX4B72
					More data for this Ligand-Target Pair

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