Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'graedler' and Initial = 'u'   

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))	BDBM50294783 (3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,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	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294781 (CHEMBL552159 | N-Adamantan-2-yl-4-(3-isopropyl-[1,...) Show SMILES CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(7.3,-4.75,;6.54,-3.41,;7.31,-2.08,;5,-3.41,;4.31,-4.78,;2.79,-4.55,;2.53,-3.04,;1.19,-2.27,;-.14,-3.05,;-1.24,-4.13,;.95,-4.13,;-1.47,-2.28,;-2.81,-3.05,;-2.8,-4.59,;-4.14,-2.29,;-5.42,-3.14,;-5.43,-4.67,;-6.83,-5.02,;-8.16,-4.53,;-9.35,-5.81,;-7.85,-5.39,;-6.45,-5.95,;-7.86,-3.8,;-6.82,-2.57,;-8.17,-3.04,;3.9,-2.33,)| Show InChI InChI=1S/C21H33N3O2/c1-12(2)20-23-18(26-24-20)11-21(3,4)10-17(25)22-19-15-6-13-5-14(8-15)9-16(19)7-13/h12-16,19H,5-11H2,1-4H3,(H,22,25)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294764 (3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,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	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294771 (CHEMBL549419 | N-Adamantan-2-yl-2-[1-(isobutylcarb...) Show SMILES CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.27,-20.54,;6.93,-19.77,;6.93,-18.23,;5.6,-20.54,;4.27,-19.78,;2.93,-20.55,;2.94,-22.09,;1.6,-19.78,;.27,-20.55,;-1.07,-19.79,;-2.4,-20.56,;-2.4,-22.1,;-3.74,-19.8,;-5.02,-20.65,;-5.03,-22.18,;-6.43,-22.53,;-7.75,-22.04,;-8.95,-23.32,;-7.45,-22.9,;-6.04,-23.46,;-7.45,-21.31,;-6.42,-20.08,;-7.76,-20.55,;-.97,-21.47,;-.48,-22.93,;1.06,-22.92,;1.52,-21.45,)| Show InChI InChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27)	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294767 (CHEMBL562113 | N-Adamantan-2-yl-2-{1-[(2-methoxy-p...) Show SMILES COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(6.77,1.1,;5.44,.32,;5.45,-1.22,;6.78,-1.98,;6.79,-3.53,;5.45,-4.3,;4.12,-3.53,;4.12,-1.98,;2.79,-1.22,;1.46,-1.99,;1.46,-3.53,;.12,-1.22,;-1.21,-2,;-2.55,-1.23,;-3.88,-2,;-3.88,-3.54,;-5.22,-1.24,;-6.5,-2.09,;-6.51,-3.62,;-7.9,-3.97,;-9.23,-3.48,;-10.43,-4.76,;-8.93,-4.34,;-7.52,-4.9,;-8.93,-2.75,;-7.89,-1.52,;-9.24,-1.99,;-2.45,-2.91,;-1.96,-4.37,;-.42,-4.36,;.04,-2.89,)| Show InChI InChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30)	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50294783 (3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in mouse liver microsome				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294780 (CHEMBL560849 | N-Adamantan-2-yl-4-(3-cyclopropyl-[...) Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)C1CC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(19.12,3.89,;20.22,4.97,;21.3,3.89,;18.88,5.74,;17.55,4.96,;17.55,3.42,;16.21,5.73,;14.93,4.88,;14.92,3.35,;13.52,3,;12.2,3.49,;11,2.21,;12.5,2.63,;13.91,2.07,;12.5,4.22,;13.54,5.45,;12.19,4.98,;21.55,5.75,;22.88,4.98,;24.26,5.69,;25.35,4.61,;24.67,3.24,;23.14,3.46,;26.89,4.61,;28.22,3.83,;28.22,5.37,)| Show InChI InChI=1S/C21H31N3O2/c1-21(2,11-18-23-20(24-26-18)14-3-4-14)10-17(25)22-19-15-6-12-5-13(8-15)9-16(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,22,25)	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294770 (CHEMBL560250 | N-Adamantan-2-yl-2-(1-{[(pyridin-2-...) Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccn1 |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,(23,-13.1,;23,-11.56,;21.66,-10.79,;20.33,-11.56,;18.99,-10.8,;17.66,-11.57,;17.66,-13.11,;16.32,-10.81,;15.04,-11.66,;15.03,-13.19,;13.64,-13.53,;12.31,-13.05,;11.11,-14.33,;12.61,-13.91,;14.02,-14.47,;12.61,-12.32,;13.65,-11.09,;12.3,-11.56,;19.09,-12.48,;19.58,-13.94,;21.12,-13.93,;21.58,-12.46,;24.33,-10.79,;25.66,-11.55,;27,-10.78,;28.32,-11.55,;29.65,-10.78,;29.65,-9.24,;28.31,-8.47,;26.98,-9.25,)| Show InChI InChI=1S/C25H35N3O2/c29-22(27-16-21-5-1-4-8-26-21)14-25(6-2-3-7-25)15-23(30)28-24-19-10-17-9-18(12-19)13-20(24)11-17/h1,4-5,8,17-20,24H,2-3,6-7,9-16H2,(H,27,29)(H,28,30)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294765 (CHEMBL551306 | N-Adamantan-2-yl-2-{1-[(4-fluoro-ph...) Show SMILES Fc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(8.39,2.65,;7.05,3.42,;5.72,2.65,;4.39,3.41,;4.39,4.96,;3.05,5.73,;1.72,4.96,;1.72,3.42,;.38,5.72,;-.95,4.95,;-2.28,5.72,;-3.61,4.94,;-3.61,3.4,;-4.95,5.71,;-6.23,4.85,;-6.24,3.33,;-7.64,2.98,;-8.97,3.46,;-10.16,2.19,;-8.66,2.61,;-7.26,2.05,;-8.67,4.2,;-7.63,5.43,;-8.98,4.95,;-2.19,4.03,;-1.7,2.57,;-.16,2.59,;.31,4.06,;5.71,5.73,;7.04,4.97,)| Show InChI InChI=1S/C25H33FN2O2/c26-20-3-5-21(6-4-20)27-22(29)14-25(7-1-2-8-25)15-23(30)28-24-18-10-16-9-17(12-18)13-19(24)11-16/h3-6,16-19,24H,1-2,7-15H2,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294769 (CHEMBL564500 | N-Adamantan-2-yl-2-{1-[(4-fluoro-be...) Show SMILES Fc1ccc(CNC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(9.29,-7.96,;7.96,-8.73,;7.96,-10.27,;6.63,-11.05,;5.3,-10.27,;3.97,-11.05,;2.63,-10.28,;1.3,-11.05,;1.3,-12.59,;-.04,-10.29,;-1.37,-11.06,;-2.7,-10.29,;-4.04,-11.07,;-4.03,-12.61,;-5.37,-10.3,;-6.65,-11.15,;-6.66,-12.68,;-8.06,-13.03,;-9.39,-12.55,;-10.59,-13.82,;-9.08,-13.4,;-7.68,-13.96,;-9.09,-11.81,;-8.05,-10.58,;-9.4,-11.05,;-2.61,-11.98,;-2.12,-13.44,;-.58,-13.42,;-.11,-11.95,;5.29,-8.74,;6.61,-7.97,)| Show InChI InChI=1S/C26H35FN2O2/c27-22-5-3-17(4-6-22)16-28-23(30)14-26(7-1-2-8-26)15-24(31)29-25-20-10-18-9-19(12-20)13-21(25)11-18/h3-6,18-21,25H,1-2,7-16H2,(H,28,30)(H,29,31)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294766 (CHEMBL562112 | N-Adamantan-2-yl-2-[1-(benzylcarbam...) Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1 |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,(24.76,3.6,;24.75,5.14,;23.42,5.9,;22.09,5.13,;20.75,5.9,;19.42,5.12,;19.42,3.58,;18.08,5.89,;16.8,5.03,;16.79,3.51,;15.39,3.16,;14.07,3.64,;12.87,2.36,;14.37,2.79,;15.78,2.23,;14.37,4.38,;15.4,5.61,;14.06,5.13,;20.85,4.21,;21.34,2.75,;22.88,2.77,;23.34,4.24,;26.09,5.91,;27.42,5.14,;27.43,3.6,;26.08,2.83,;26.08,1.29,;27.42,.52,;28.76,1.3,;28.75,2.84,)| Show InChI InChI=1S/C26H36N2O2/c29-23(27-17-18-6-2-1-3-7-18)15-26(8-4-5-9-26)16-24(30)28-25-21-11-19-10-20(13-21)14-22(25)12-19/h1-3,6-7,19-22,25H,4-5,8-17H2,(H,27,29)(H,28,30)	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50294783 (3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in rat liver microsome				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294773 (CHEMBL564367 | N-Adamantan-2-yl-2-[1-(2-oxo-2-pyrr...) Show SMILES O=C(CC1(CC(=O)N2CCCC2)CCCC1)NC1C2CC3CC(C2)CC1C3 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(-2.8,-30.55,;-2.81,-29.01,;-1.47,-28.24,;-.14,-29,;1.19,-28.23,;2.53,-29,;2.53,-30.54,;3.86,-28.22,;5.27,-28.84,;6.3,-27.7,;5.52,-26.36,;4.02,-26.69,;-1.38,-29.92,;-.89,-31.38,;.65,-31.37,;1.11,-29.9,;-4.14,-28.25,;-5.42,-29.1,;-5.43,-30.63,;-6.83,-30.97,;-8.16,-30.49,;-9.36,-31.77,;-7.85,-31.35,;-6.45,-31.91,;-7.86,-29.76,;-6.82,-28.53,;-8.17,-29,)| Show InChI InChI=1S/C23H36N2O2/c26-20(24-22-18-10-16-9-17(12-18)13-19(22)11-16)14-23(5-1-2-6-23)15-21(27)25-7-3-4-8-25/h16-19,22H,1-15H2,(H,24,26)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294768 (CHEMBL551973 | N-Adamantan-2-yl-2-{1-[(4-methoxy-p...) Show SMILES COc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(30.63,-7.21,;30.62,-5.67,;29.29,-4.9,;27.95,-5.68,;26.62,-4.91,;26.62,-3.36,;25.28,-2.59,;23.95,-3.37,;23.95,-4.91,;22.62,-2.6,;21.28,-3.37,;19.95,-2.61,;18.62,-3.38,;18.62,-4.92,;17.28,-2.61,;16,-3.47,;15.99,-5,;14.59,-5.34,;13.26,-4.86,;12.07,-6.14,;13.57,-5.72,;14.97,-6.27,;13.56,-4.13,;14.6,-2.9,;13.26,-3.37,;20.05,-4.29,;20.54,-5.75,;22.08,-5.73,;22.54,-4.27,;27.94,-2.6,;29.28,-3.36,)| Show InChI InChI=1S/C26H36N2O3/c1-31-22-6-4-21(5-7-22)27-23(29)15-26(8-2-3-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h4-7,17-20,25H,2-3,8-16H2,1H3,(H,27,29)(H,28,30)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294779 (CHEMBL550036 | N-Adamantan-2-yl-3,3-dimethyl-4-(3-...) Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)-c1ccccn1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(-1.74,3.17,;-.64,4.25,;.44,3.17,;-1.98,5.02,;-3.31,4.24,;-3.31,2.7,;-4.65,5.01,;-5.93,4.15,;-5.94,2.63,;-7.34,2.28,;-8.66,2.76,;-9.86,1.49,;-8.36,1.91,;-6.95,1.35,;-8.36,3.5,;-7.32,4.73,;-8.67,4.25,;.69,5.02,;2.02,4.26,;3.4,4.97,;4.49,3.89,;3.81,2.51,;2.28,2.74,;6.03,3.88,;6.79,2.55,;8.33,2.54,;9.1,3.87,;8.33,5.21,;6.79,5.21,)| Show InChI InChI=1S/C23H30N4O2/c1-23(2,13-20-26-22(27-29-20)18-5-3-4-6-24-18)12-19(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-13H2,1-2H3,(H,25,28)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294774 (CHEMBL560570 | N-Adamantan-2-yl-2-(1-cyclopropylca...) Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NC1CC1 |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,(24.92,-29.6,;24.92,-28.06,;23.58,-27.3,;22.25,-28.07,;20.91,-27.3,;19.58,-28.08,;19.59,-29.62,;18.25,-27.31,;16.96,-28.17,;16.95,-29.69,;15.56,-30.04,;14.23,-29.56,;13.03,-30.83,;14.53,-30.41,;15.94,-30.97,;14.53,-28.82,;15.57,-27.59,;14.22,-28.07,;21.01,-28.99,;21.5,-30.45,;23.04,-30.43,;23.5,-28.96,;26.25,-27.29,;27.58,-28.06,;28.36,-29.39,;29.12,-28.05,)| Show InChI InChI=1S/C22H34N2O2/c25-19(23-18-3-4-18)12-22(5-1-2-6-22)13-20(26)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h14-18,21H,1-13H2,(H,23,25)(H,24,26)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50294764 (3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in mouse liver microsome				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294776 (3,3-Dimethyl-pentanedioic acid adamantan-2-ylamide...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(21.36,-36.48,;22.43,-35.36,;23.51,-36.45,;23.76,-34.59,;25.09,-35.36,;25.1,-36.9,;26.42,-34.58,;27.76,-35.35,;28.54,-36.68,;29.3,-35.34,;21.09,-34.6,;19.76,-35.37,;19.76,-36.91,;18.42,-34.6,;17.14,-35.46,;17.13,-36.99,;15.73,-37.33,;14.41,-36.85,;13.21,-38.13,;14.71,-37.71,;16.12,-38.26,;14.71,-36.12,;15.74,-34.89,;14.4,-35.36,)| Show InChI InChI=1S/C20H32N2O2/c1-20(2,10-17(23)21-16-3-4-16)11-18(24)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,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	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294772 (CHEMBL560449 | N-Adamantan-2-yl-2-{1-[2-(4-ethyl-p...) Show SMILES CCN1CCN(CC1)C(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(30.77,-18.12,;29.44,-17.35,;28.1,-18.12,;28.1,-19.66,;26.77,-20.42,;25.44,-19.65,;25.43,-18.12,;26.77,-17.35,;24.11,-20.43,;24.11,-21.97,;22.77,-19.66,;21.44,-20.43,;20.1,-19.67,;18.77,-20.44,;18.78,-21.98,;17.44,-19.67,;16.15,-20.53,;16.14,-22.06,;14.75,-22.4,;13.42,-21.92,;12.22,-23.2,;13.72,-22.78,;15.13,-23.33,;13.72,-21.18,;14.76,-19.96,;13.41,-20.43,;20.2,-21.35,;20.69,-22.81,;22.23,-22.79,;22.69,-21.32,)| Show InChI InChI=1S/C25H41N3O2/c1-2-27-7-9-28(10-8-27)23(30)17-25(5-3-4-6-25)16-22(29)26-24-20-12-18-11-19(14-20)15-21(24)13-18/h18-21,24H,2-17H2,1H3,(H,26,29)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294778 (CHEMBL565064 | N-Adamantan-2-yl-4-[3-(4-chloro-phe...) Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)-c1ccc(Cl)cc1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(20.7,-43.65,;21.8,-42.57,;22.88,-43.65,;20.46,-41.8,;19.13,-42.58,;19.13,-44.12,;17.79,-41.81,;16.51,-42.66,;16.5,-44.19,;15.1,-44.54,;13.78,-44.06,;12.58,-45.33,;14.08,-44.91,;15.49,-45.47,;14.08,-43.32,;15.12,-42.09,;13.77,-42.56,;23.13,-41.79,;24.46,-42.56,;25.84,-41.85,;26.93,-42.93,;26.25,-44.3,;24.72,-44.08,;28.47,-42.93,;29.23,-44.27,;30.77,-44.28,;31.55,-42.94,;33.09,-42.95,;30.77,-41.6,;29.24,-41.6,)| Show InChI InChI=1S/C24H30ClN3O2/c1-24(2,13-21-27-23(28-30-21)16-3-5-19(25)6-4-16)12-20(29)26-22-17-8-14-7-15(10-17)11-18(22)9-14/h3-6,14-15,17-18,22H,7-13H2,1-2H3,(H,26,29)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294777 (CHEMBL562937 | N-Adamantan-2-yl-2-(1-cyclopropylca...) Show SMILES O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1)NC1CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:7:8:12.13.15:17,8:9:12:15.16.17,8:16:12:10.14.9,(1.91,-43.51,;1.91,-41.97,;.57,-41.21,;-.76,-41.98,;-2.1,-41.22,;-3.43,-41.99,;-3.42,-43.53,;-4.76,-41.22,;-6.05,-42.08,;-6.06,-43.61,;-7.45,-43.95,;-8.78,-43.47,;-9.98,-44.75,;-8.48,-44.33,;-7.07,-44.88,;-8.48,-42.73,;-7.44,-41.51,;-8.79,-41.98,;-2.1,-42.74,;-2.11,-44.27,;-.78,-45.05,;.55,-44.29,;.57,-42.75,;3.24,-41.2,;4.58,-41.97,;5.35,-43.29,;6.12,-41.96,)| Show InChI InChI=1S/C23H36N2O2/c26-20(24-19-4-5-19)13-23(6-2-1-3-7-23)14-21(27)25-22-17-9-15-8-16(11-17)12-18(22)10-15/h15-19,22H,1-14H2,(H,24,26)(H,25,27)	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294785 (3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |r,wU:14.14,21.23,TLB:18:17:24:20.19.14,18:19:23.17.16:24,14:15:23:20.18.19,THB:14:19:23:16.15.24,13:14:23.17.16:24,(-.41,-18.77,;.69,-17.68,;1.77,-18.77,;2.03,-16.92,;3.36,-17.69,;3.35,-19.23,;4.69,-16.93,;6.02,-17.71,;6.79,-19.04,;7.57,-17.71,;-.64,-16.91,;-1.98,-17.67,;-1.99,-19.21,;-3.31,-16.89,;-4.58,-17.77,;-4.56,-19.27,;-6.09,-19.78,;-7.57,-19.19,;-7.56,-17.68,;-6,-17.21,;-6.84,-18.38,;-6.88,-19.79,;-6.89,-21.33,;-8.51,-20.43,;-5.5,-20.35,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,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	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50294764 (3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in rat liver microsome				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294775 (CHEMBL549555 | Pentanedioic acid adamantan-2-ylami...) Show SMILES O=C(CCCC(=O)NC1C2CC3CC(C2)CC1C3)NC1CC1 |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,(2.3,-37.64,;2.3,-36.1,;.96,-35.34,;-.37,-36.11,;-1.71,-35.34,;-3.04,-36.12,;-3.03,-37.66,;-4.37,-35.35,;-5.66,-36.2,;-5.67,-37.73,;-7.06,-38.08,;-8.39,-37.6,;-9.59,-38.87,;-8.09,-38.45,;-6.68,-39.01,;-8.09,-36.86,;-7.05,-35.63,;-8.4,-36.1,;3.63,-35.33,;4.96,-36.09,;5.74,-37.42,;6.51,-36.09,)| Show InChI InChI=1S/C18H28N2O2/c21-16(19-15-4-5-15)2-1-3-17(22)20-18-13-7-11-6-12(9-13)10-14(18)8-11/h11-15,18H,1-10H2,(H,19,21)(H,20,22)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294782 (4-(4-Cyclopropylcarbamoyl-3,3-dimethyl-butyrylamin...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(O)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(20.7,-3.32,;21.8,-2.23,;22.88,-3.32,;23.13,-1.47,;24.46,-2.25,;24.46,-3.79,;25.8,-1.48,;27.13,-2.26,;27.9,-3.59,;28.67,-2.26,;20.47,-1.46,;19.13,-2.22,;19.12,-3.76,;17.8,-1.45,;16.53,-2.32,;16.55,-3.83,;15.61,-4.9,;14.23,-4.34,;14.27,-2.93,;15.11,-1.76,;13.55,-2.23,;13.54,-3.74,;12.6,-4.98,;15.02,-4.34,;12,-3.73,;11.22,-5.06,;11.24,-2.39,)| Show InChI InChI=1S/C21H32N2O4/c1-20(2,10-16(24)22-15-3-4-15)11-17(25)23-18-13-5-12-6-14(18)9-21(7-12,8-13)19(26)27/h12-15,18H,3-11H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t12?,13?,14?,18-,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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294784 (2-(1-(2-(2-chloro-4-fluorobenzylamino)-2-oxoethyl)...) Show SMILES OC(=O)CC1(CC(=O)NCc2ccc(F)cc2Cl)CCCC1 Show InChI InChI=1S/C16H19ClFNO3/c17-13-7-12(18)4-3-11(13)10-19-14(20)8-16(9-15(21)22)5-1-2-6-16/h3-4,7H,1-2,5-6,8-10H2,(H,19,20)(H,21,22)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294786 (CHEMBL562600 | [1-(Adamantan-2-ylcarbamoylmethyl)-...) Show SMILES OC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:15:14:18:11.10.9,15:10:13.14.16:18,THB:9:10:13:16.17.18,9:17:13:11.15.10,8:9:13.14.16:18,(24.62,-42,;23.29,-41.23,;23.29,-39.69,;21.95,-42,;20.62,-41.22,;19.28,-42,;17.95,-41.23,;17.95,-39.69,;16.62,-42,;15.34,-41.15,;15.33,-39.62,;13.93,-39.27,;12.6,-39.75,;11.41,-38.47,;12.91,-38.89,;14.32,-38.34,;12.9,-40.49,;13.94,-41.71,;12.59,-41.24,;19.36,-40.34,;19.81,-38.87,;21.35,-38.84,;21.85,-40.3,)| Show InChI InChI=1S/C19H29NO3/c21-16(10-19(11-17(22)23)3-1-2-4-19)20-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-15,18H,1-11H2,(H,20,21)(H,22,23)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394274 (US9975902, Example 4) Show SMILES [O-][N+](=O)c1ccc(CNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1 |r| Show InChI InChI=1S/C18H19N3O5/c22-14(19-8-10-1-5-13(6-2-10)21(25)26)9-20-17(23)15-11-3-4-12(7-11)16(15)18(20)24/h1-2,5-6,11-12,15-16H,3-4,7-9H2,(H,19,22)/t11-,12?,15?,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394273 (US9975902, Example 3) Show SMILES O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc21 |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16?,17-,18?,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394272 (US9975902, Example 2) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The peptidyl-proline isomerase activity (PPase) was determined by using a PPase-chymotrypsin coupled assay with suc-AAPF-p-NA as substrated and color...				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394272 (US9975902, Example 2) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394270 (US9975902, Example 1) Show SMILES O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)C4[C@@H]5CCC(C5)[C@H]4C3=O)cc21 |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13?,16-,17-,18?,20?,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50294783 (3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD2 expressed in Escherichia coli assessed as cortisol level after 60 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50294764 (3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,20-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD2 expressed in Escherichia coli assessed as cortisol level after 60 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394280 (US9975902, Example 10) Show SMILES [O-][N+](=O)c1ccc(CCNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1 |r| Show InChI InChI=1S/C19H21N3O5/c23-15(20-8-7-11-1-5-14(6-2-11)22(26)27)10-21-18(24)16-12-3-4-13(9-12)17(16)19(21)25/h1-2,5-6,12-13,16-17H,3-4,7-10H2,(H,20,23)/t12-,13?,16?,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394279 (US9975902, Example 9) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C22H27N3O3/c26-18(24-9-7-13-3-6-17-14(10-13)2-1-8-23-17)12-25-21(27)19-15-4-5-16(11-15)20(19)22(25)28/h3,6,10,15-16,19-20,23H,1-2,4-5,7-9,11-12H2,(H,24,26)/t15-,16+,19-,20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394278 (US9975902, Example 8) Show SMILES Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(O4)C3C2=O)cc1 Show InChI InChI=1S/C17H19N3O4/c18-10-3-1-9(2-4-10)7-19-13(21)8-20-16(22)14-11-5-6-12(24-11)15(14)17(20)23/h1-4,11-12,14-15H,5-8,18H2,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394277 (US9975902, Example 7) Show SMILES Nc1ccc(CCNC(=O)CN2C(=O)C3CCCCC3C2=O)cc1 Show InChI InChI=1S/C18H23N3O3/c19-13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h5-8,14-15H,1-4,9-11,19H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394276 (US9975902, Example 6) Show SMILES CCN1Cc2cc(CNC(=O)CN3C(=O)C4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)ccc2NCCC1=O |r| Show InChI InChI=1S/C24H30N4O4/c1-2-27-12-17-9-14(3-6-18(17)25-8-7-20(27)30)11-26-19(29)13-28-23(31)21-15-4-5-16(10-15)22(21)24(28)32/h3,6,9,15-16,21-22,25H,2,4-5,7-8,10-13H2,1H3,(H,26,29)/t15-,16+,21+,22?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394275 (US9975902, Example 5) Show SMILES Nc1ccc(cc1)C1(CC1)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O |r| Show InChI InChI=1S/C20H23N3O3/c21-14-5-3-13(4-6-14)20(7-8-20)22-15(24)10-23-18(25)16-11-1-2-12(9-11)17(16)19(23)26/h3-6,11-12,16-17H,1-2,7-10,21H2,(H,22,24)/t11-,12+,16-,17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394281 (US9975902, Example 11) Show SMILES CCC1Oc2cc(ccc2NC1=O)C(C)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O |r| Show InChI InChI=1S/C23H27N3O5/c1-3-16-21(28)25-15-7-6-12(9-17(15)31-16)11(2)24-18(27)10-26-22(29)19-13-4-5-14(8-13)20(19)23(26)30/h6-7,9,11,13-14,16,19-20H,3-5,8,10H2,1-2H3,(H,24,27)(H,25,28)/t11?,13-,14+,16?,19-,20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394274 (US9975902, Example 4) Show SMILES [O-][N+](=O)c1ccc(CNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1 |r| Show InChI InChI=1S/C18H19N3O5/c22-14(19-8-10-1-5-13(6-2-10)21(25)26)9-20-17(23)15-11-3-4-12(7-11)16(15)18(20)24/h1-2,5-6,11-12,15-16H,3-4,7-9H2,(H,19,22)/t11-,12?,15?,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The peptidyl-proline isomerase activity (PPase) was determined by using a PPase-chymotrypsin coupled assay with suc-AAPF-p-NA as substrated and color...				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair