Compile Data Set for Download or QSAR

Found 3105 hits with Last Name = 'bartberger' and Initial = 'md'   

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))	BDBM22473 (2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1...) Show SMILES O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13| Show InChI InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224221 (5-cyclopentyl-2-(2-fluorophenylamino)thiazol-4(5H)...) Show SMILES Oc1nc(Nc2ccccc2F)sc1C1CCCC1 Show InChI InChI=1S/C14H15FN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224216 (2-(2-chlorophenylamino)-5-cyclopentylthiazol-4(5H)...) Show SMILES Oc1nc(Nc2ccccc2Cl)sc1C1CCCC1 Show InChI InChI=1S/C14H15ClN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,18H,1-2,5-6H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224207 (2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...) Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O Show InChI InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15)	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224208 (2-(2-chlorophenylamino)-5-isopropylthiazol-4(5H)-o...) Show SMILES CC(C)c1sc(Nc2ccccc2Cl)nc1O Show InChI InChI=1S/C12H13ClN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224202 (5-cyclohexyl-2-(2-fluorophenylamino)thiazol-4(5H)-...) Show SMILES Oc1nc(Nc2ccccc2F)sc1C1CCCCC1 Show InChI InChI=1S/C15H17FN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2,(H,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	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224203 (2-(2-chlorophenylamino)-5-cyclohexylthiazol-4(5H)-...) Show SMILES Oc1nc(Nc2ccccc2Cl)sc1C1CCCCC1 Show InChI InChI=1S/C15H17ClN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2,(H,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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22467 (2-Amino-1,3-thiazol-4(5H)-one, 6h | 5-methyl-5-pro...) Show SMILES CCCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16| Show InChI InChI=1S/C16H24N2OS/c1-3-4-15(2)13(19)17-14(20-15)18-16-8-10-5-11(9-16)7-12(16)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	-44.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224217 (2-(2,5-difluorophenylamino)-5-isopropylthiazol-4(5...) Show SMILES CC(C)c1sc(Nc2cc(F)ccc2F)nc1O Show InChI InChI=1S/C12H12F2N2OS/c1-6(2)10-11(17)16-12(18-10)15-9-5-7(13)3-4-8(9)14/h3-6,17H,1-2H3,(H,15,16)	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
Hydroxysteroid 11-beta dehydrogenase 1 (Canis familiaris)	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of dog recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50319660 ((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...) Show SMILES CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r| Show InChI InChI=1S/C13H20N2OS/c1-7(2)11-12(16)15-13(17-11)14-10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,15)/t8-,9+,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay				J Med Chem 53: 4481-7 (2010) Article DOI: 10.1021/jm100242d BindingDB Entry DOI: 10.7270/Q2WW7HVQ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50319665 ((S)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...) Show SMILES CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay				J Med Chem 53: 4481-7 (2010) Article DOI: 10.1021/jm100242d BindingDB Entry DOI: 10.7270/Q2WW7HVQ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224205 (2-(2,6-dichlorophenylamino)-5-isopropylthiazol-4(5...) Show SMILES CC(C)c1sc(Nc2c(Cl)cccc2Cl)nc1O Show InChI InChI=1S/C12H12Cl2N2OS/c1-6(2)10-11(17)16-12(18-10)15-9-7(13)4-3-5-8(9)14/h3-6,17H,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22472 (2-Amino-1,3-thiazol-4(5H)-one, 7b | 5,5-diethyl-2-...) Show SMILES CCC1(CC)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16| Show InChI InChI=1S/C16H24N2OS/c1-3-16(4-2)13(19)17-14(20-16)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22466 (2-Amino-1,3-thiazol-4(5H)-one, 5h | 5-ethyl-5-meth...) Show SMILES CCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:18,TLB:14:13:7.8:10,6:7:10:13.12.15,6:7:12:9.10.15,THB:8:7:12:9.10.15,8:9:7.14:12,14:7:10:13.12.15| Show InChI InChI=1S/C15H22N2OS/c1-3-14(2)12(18)16-13(19-14)17-15-7-9-4-10(8-15)6-11(15)5-9/h9-11H,3-8H2,1-2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22471 (2-(cyclooctylamino)-1-thia-3-azaspiro[4.4]non-2-en...) Show SMILES O=C1N=C(NC2CCCCCCC2)SC11CCCC1 |t:2| Show InChI InChI=1S/C15H24N2OS/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	PC cid PC sid UniChem Patents Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224207 (2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-o...) Show SMILES CC(C)c1sc(Nc2ccccc2F)nc1O Show InChI InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,16H,1-2H3,(H,14,15)	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50319664 ((R,S)-2-((+/-)-exo-Bicyclo[2.2.1]heptan-2-ylamino)...) Show SMILES CC(C)C1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay				J Med Chem 53: 4481-7 (2010) Article DOI: 10.1021/jm100242d BindingDB Entry DOI: 10.7270/Q2WW7HVQ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224222 (2-(2,4-dichlorophenylamino)-5-isopropylthiazol-4(5...) Show SMILES CC(C)c1sc(Nc2ccc(Cl)cc2Cl)nc1O Show InChI InChI=1S/C12H12Cl2N2OS/c1-6(2)10-11(17)16-12(18-10)15-9-4-3-7(13)5-8(9)14/h3-6,17H,1-2H3,(H,15,16)	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22474 (2-(adamantan-1-ylamino)-5,5-diethyl-4,5-dihydro-1,...) Show SMILES CCC1(CC)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13| Show InChI InChI=1S/C17H26N2OS/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	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-43.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM13754 ((5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-met...) Show SMILES C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3| Show InChI InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273822 (5-(4-Fluorophenyl)-2-[(S)-1-(4-fluorophenyl)ethyla...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(F)cc1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C18H16F2N2OS/c1-11(12-3-7-14(19)8-4-12)21-17-22-16(23)18(2,24-17)13-5-9-15(20)10-6-13/h3-11H,1-2H3,(H,21,22,23)/t11-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224212 (5-isopropyl-2-(2-(trifluoromethyl)phenylamino)thia...) Show SMILES CC(C)c1sc(Nc2ccccc2C(F)(F)F)nc1O Show InChI InChI=1S/C13H13F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,19H,1-2H3,(H,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	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22469 (2-(adamantan-1-ylamino)-5-methyl-5-propyl-4,5-dihy...) Show SMILES CCCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13| Show InChI InChI=1S/C17H26N2OS/c1-3-4-16(2)14(20)18-15(21-16)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-13H,3-10H2,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	24	-43.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22468 (2-(adamantan-1-ylamino)-5-ethyl-5-methyl-4,5-dihyd...) Show SMILES CCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:19,TLB:16:7:14:10.11.12,THB:16:11:14:8.7.15,15:7:10:14.13.12,15:13:10:8.7.16,6:7:14:10.11.12| Show InChI InChI=1S/C16H24N2OS/c1-3-15(2)13(19)17-14(20-15)18-16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,3-9H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	24	-43.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22463 (2-Amino-1,3-thiazol-4(5H)-one, 6f | 2-{bicyclo[2.2...) Show SMILES CCCC1(C)SC(NC23CCC(CC2)C3)=NC1=O |c:16| Show InChI InChI=1S/C14H22N2OS/c1-3-6-13(2)11(17)15-12(18-13)16-14-7-4-10(9-14)5-8-14/h10H,3-9H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273859 (2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(1-hydroxyc...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCCC1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C17H21FN2O2S/c1-11(12-5-7-13(18)8-6-12)19-15-20-14(21)16(2,23-15)17(22)9-3-4-10-17/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,19,20,21)/t11-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273456 ((S)-5-(2-Hydroxypropan-2-yl)-5-methyl-2-{1-[2-(tri...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1C(F)(F)F |r,t:3| Show InChI InChI=1S/C16H19F3N2O2S/c1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23/h5-9,23H,1-4H3,(H,20,21,22)/t9-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224200 (2-(2,4-difluorophenylamino)-5-isopropylthiazol-4(5...) Show SMILES CC(C)c1sc(Nc2ccc(F)cc2F)nc1O Show InChI InChI=1S/C12H12F2N2OS/c1-6(2)10-11(17)16-12(18-10)15-9-4-3-7(13)5-8(9)14/h3-6,17H,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273455 (2-[(S)-1-(2-Chlorophenyl)ethylamino]-5-(2-hydroxyp...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1Cl |r,t:3| Show InChI InChI=1S/C15H19ClN2O2S/c1-9(10-7-5-6-8-11(10)16)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273821 (CHEMBL458085 | Methyl 4-{2-[(S)-1-(4-fluorophenyl)...) Show SMILES COC(=O)c1ccc(cc1)C1(C)SC(N[C@@H](C)c2ccc(F)cc2)=NC1=O |r,c:25| Show InChI InChI=1S/C20H19FN2O3S/c1-12(13-6-10-16(21)11-7-13)22-19-23-18(25)20(2,27-19)15-8-4-14(5-9-15)17(24)26-3/h4-12H,1-3H3,(H,22,23,25)/t12-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22470 (2-(cyclooctylamino)-5,5-diethyl-4,5-dihydro-1,3-th...) Show SMILES CCC1(CC)SC(NC2CCCCCCC2)=NC1=O |c:16| Show InChI InChI=1S/C15H26N2OS/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	PC cid PC sid UniChem Patents Similars	Article PubMed	26	-42.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224213 (2-(o-toluidino)-5-isopropylthiazol-4(5H)-one | CHE...) Show SMILES CC(C)c1sc(Nc2ccccc2C)nc1O Show InChI InChI=1S/C13H16N2OS/c1-8(2)11-12(16)15-13(17-11)14-10-7-5-4-6-9(10)3/h4-8,16H,1-3H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50319666 ((S)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...) Show SMILES CC(C)[C@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay				J Med Chem 53: 4481-7 (2010) Article DOI: 10.1021/jm100242d BindingDB Entry DOI: 10.7270/Q2WW7HVQ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22459 (2-(cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-...) Show SMILES CCCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:16| Show InChI InChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273452 (2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-5-[4...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)N1CCCC1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C23H24FN3O2S/c1-15(16-7-11-19(24)12-8-16)25-22-26-21(29)23(2,30-22)18-9-5-17(6-10-18)20(28)27-13-3-4-14-27/h5-12,15H,3-4,13-14H2,1-2H3,(H,25,26,29)/t15-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22475 (2-(adamantan-1-ylamino)-1-thia-3-azaspiro[4.4]non-...) Show SMILES O=C1N=C(NC23CC4CC(CC(C4)C2)C3)SC11CCCC1 |t:2,TLB:14:5:12:8.9.10,THB:14:9:12:6.5.13,13:5:8:12.11.10,13:11:8:6.5.14,4:5:12:8.9.10| Show InChI InChI=1S/C17H24N2OS/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	PC cid PC sid UniChem Patents Similars	Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273825 (1-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methy...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C1(CC1)C(N)=O)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C22H22FN3O2S/c1-13(14-3-9-17(23)10-4-14)25-20-26-19(28)21(2,29-20)15-5-7-16(8-6-15)22(11-12-22)18(24)27/h3-10,13H,11-12H2,1-2H3,(H2,24,27)(H,25,26,28)/t13-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50319667 ((R)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-...) Show SMILES CC(C)[C@@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay				J Med Chem 53: 4481-7 (2010) Article DOI: 10.1021/jm100242d BindingDB Entry DOI: 10.7270/Q2WW7HVQ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50224211 (5-isopropyl-2-(isoquinolin-5-ylamino)thiazol-4(5H)...) Show SMILES CC(C)c1sc(Nc2cccc3cnccc23)nc1O Show InChI InChI=1S/C15H15N3OS/c1-9(2)13-14(19)18-15(20-13)17-12-5-3-4-10-8-16-7-6-11(10)12/h3-9,19H,1-2H3,(H,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	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11betaHSD1 by SPA				Bioorg Med Chem Lett 17: 6056-61 (2007) Article DOI: 10.1016/j.bmcl.2007.09.070 BindingDB Entry DOI: 10.7270/Q2X34X6D
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22457 (2-(cycloheptylamino)-5-methyl-5-propyl-4,5-dihydro...) Show SMILES CCCC1(C)SC(NC2CCCCCC2)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-3-10-14(2)12(17)16-13(18-14)15-11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	32	-42.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22455 (2-Amino-1,3-thiazol-4(5H)-one, 6b | 2-[(cyclohexyl...) Show SMILES CCCC1(C)SC(NCC2CCCCC2)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-3-9-14(2)12(17)16-13(18-14)15-10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	34	-42.2	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273454 (2-[(S)-1-(2-Fluorophenyl)ethylamino]-5-(2-hydroxyp...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1F |r,t:3| Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-7-5-6-8-11(10)16)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273458 ((5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-...) Show SMILES C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22461 (2-Amino-1,3-thiazol-4(5H)-one, 6e | 5-methyl-5-pro...) Show SMILES CCCC1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-7-8-14(6)10(17)16-11(18-14)15-9-12(2,3)13(9,4)5/h9H,7-8H2,1-6H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	-41.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273398 (4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(N)=O)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C19H18FN3O2S/c1-11(12-5-9-15(20)10-6-12)22-18-23-17(25)19(2,26-18)14-7-3-13(4-8-14)16(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,23,25)/t11-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273855 (2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-[4-(hydroxy...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CO)cc1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C19H19FN2O2S/c1-12(14-5-9-16(20)10-6-14)21-18-22-17(24)19(2,25-18)15-7-3-13(11-23)4-8-15/h3-10,12,23H,11H2,1-2H3,(H,21,22,24)/t12-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM22458 (2-(cyclooctylamino)-5-ethyl-5-methyl-4,5-dihydro-1...) Show SMILES CCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:15| Show InChI InChI=1S/C14H24N2OS/c1-3-14(2)12(17)16-13(18-14)15-11-9-7-5-4-6-8-10-11/h11H,3-10H2,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	47	-41.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Biovitrum AB					Assay Description The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...				J Med Chem 51: 2933-43 (2008) Article DOI: 10.1021/jm701551j BindingDB Entry DOI: 10.7270/Q2HM56Q8
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50319668 ((R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-...) Show SMILES CC(C)[C@@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16| Show InChI InChI=1S/C14H22N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-11H,4-7H2,1-3H3,(H,15,16,17)/t9-,10+,11+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay				J Med Chem 53: 4481-7 (2010) Article DOI: 10.1021/jm100242d BindingDB Entry DOI: 10.7270/Q2WW7HVQ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50273858 (2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(1-hydroxyc...) Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCC1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C16H19FN2O2S/c1-10(11-4-6-12(17)7-5-11)18-14-19-13(20)15(2,22-14)16(21)8-3-9-16/h4-7,10,21H,3,8-9H2,1-2H3,(H,18,19,20)/t10-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay				J Med Chem 51: 7953-67 (2008) Article DOI: 10.1021/jm801073z BindingDB Entry DOI: 10.7270/Q2FJ2GN7
					More data for this Ligand-Target Pair

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