Compile Data Set for Download or QSAR

Found 829 hits with Last Name = 'jordan' and Initial = 's'   

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
Procathepsin L (Homo sapiens (Human))	BDBM50137388 (((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137400 (((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137398 (((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...) Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1 Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137394 (((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...) Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137392 (CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C19H28N2O4S/c1-14(2)11-17(18(23)20-16(12-22)9-10-26-3)21-19(24)25-13-15-7-5-4-6-8-15/h4-8,12,14,16-17H,9-11,13H2,1-3H3,(H,20,23)(H,21,24)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137393 (CHEMBL353725 | {(S)-1-[(S)-1-Benzyl-2-(4-piperidin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCCCC1)Cc1ccccc1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)22-32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(23-27-12-6-3-7-13-27)24-35-29-16-18-31(19-17-29)38-20-10-5-11-21-38/h3-4,6-9,12-19,26,30,32,35H,5,10-11,20-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137389 (((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137395 (CHEMBL170242 | {(S)-1-[(S)-1-Benzyl-2-(4-morpholin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C33H42N4O4/c1-25(2)21-31(36-33(39)41-24-27-11-7-4-8-12-27)32(38)35-29(22-26-9-5-3-6-10-26)23-34-28-13-15-30(16-14-28)37-17-19-40-20-18-37/h3-16,25,29,31,34H,17-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
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
Cathepsin K (Homo sapiens (Human))	BDBM50137400 (((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137390 (((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...) Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137388 (((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005335 (2-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)C(=O)NC(CCC(O)=O)C(O)=O)c3cc2[nH]1 Show InChI InChI=1S/C23H25N5O5/c24-23-26-17-10-15-2-1-9-28(19(15)11-18(17)27-23)12-13-3-5-14(6-4-13)21(31)25-16(22(32)33)7-8-20(29)30/h3-6,10-11,16H,1-2,7-9,12H2,(H,25,31)(H,29,30)(H,32,33)(H3,24,26,27)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137389 (((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					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
Thymidylate synthase (Homo sapiens (Human))	BDBM50005329 (5-[4-(Morpholine-4-sulfonyl)-benzyl]-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCOCC4)c3cc2[nH]1 Show InChI InChI=1S/C21H25N5O3S/c22-21-23-18-12-16-2-1-7-25(20(16)13-19(18)24-21)14-15-3-5-17(6-4-15)30(27,28)26-8-10-29-11-9-26/h3-6,12-13H,1-2,7-11,14H2,(H3,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					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
Cathepsin B (Homo sapiens (Human))	BDBM50137388 (((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					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
Thymidylate synthase (Escherichia coli)	BDBM50005324 (4-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccc(O)cc4)c3cc2[nH]1 Show InChI InChI=1S/C23H22N4O3S/c24-23-25-20-12-16-2-1-11-27(22(16)13-21(20)26-23)14-15-3-7-18(8-4-15)31(29,30)19-9-5-17(28)6-10-19/h3-10,12-13,28H,1-2,11,14H2,(H3,24,25,26)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137398 (((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...) Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1 Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137391 (((R)-1-{3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)...) Show SMILES C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C32H40N4O3/c1-25(34-32(38)39-24-27-13-7-3-8-14-27)31(37)35-29(16-15-26-11-5-2-6-12-26)23-33-28-17-19-30(20-18-28)36-21-9-4-10-22-36/h2-3,5-8,11-14,17-20,25,29,33H,4,9-10,15-16,21-24H2,1H3,(H,34,38)(H,35,37)/t25-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50137387 (((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137393 (CHEMBL353725 | {(S)-1-[(S)-1-Benzyl-2-(4-piperidin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCCCC1)Cc1ccccc1 Show InChI InChI=1S/C34H44N4O3/c1-26(2)22-32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(23-27-12-6-3-7-13-27)24-35-29-16-18-31(19-17-29)38-20-10-5-11-21-38/h3-4,6-9,12-19,26,30,32,35H,5,10-11,20-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50005329 (5-[4-(Morpholine-4-sulfonyl)-benzyl]-5,6,7,8-tetra...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCOCC4)c3cc2[nH]1 Show InChI InChI=1S/C21H25N5O3S/c22-21-23-18-12-16-2-1-7-25(20(16)13-19(18)24-21)14-15-3-5-17(6-4-15)30(27,28)26-8-10-29-11-9-26/h3-6,12-13H,1-2,7-11,14H2,(H3,22,23,24)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50005335 (2-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)C(=O)NC(CCC(O)=O)C(O)=O)c3cc2[nH]1 Show InChI InChI=1S/C23H25N5O5/c24-23-26-17-10-15-2-1-9-28(19(15)11-18(17)27-23)12-13-3-5-14(6-4-13)21(31)25-16(22(32)33)7-8-20(29)30/h3-6,10-11,16H,1-2,7-9,12H2,(H,25,31)(H,29,30)(H,32,33)(H3,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					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
Cathepsin B (Homo sapiens (Human))	BDBM50137390 (((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...) Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against recombinant human cathepsin B				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50137386 (2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1 Show InChI InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					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
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))	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))	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
Thymidylate synthase (Homo sapiens (Human))	BDBM50005330 (5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-1H...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 Show InChI InChI=1S/C23H22N4O2S/c24-23-25-20-13-17-5-4-12-27(22(17)14-21(20)26-23)15-16-8-10-19(11-9-16)30(28,29)18-6-2-1-3-7-18/h1-3,6-11,13-14H,4-5,12,15H2,(H3,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					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))	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
Cathepsin K (Homo sapiens (Human))	BDBM50137387 (((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...) Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1 Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					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
Cathepsin K (Homo sapiens (Human))	BDBM50137395 (CHEMBL170242 | {(S)-1-[(S)-1-Benzyl-2-(4-morpholin...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C33H42N4O4/c1-25(2)21-31(36-33(39)41-24-27-11-7-4-8-12-27)32(38)35-29(22-26-9-5-3-6-10-26)23-34-28-13-15-30(16-14-28)37-17-19-40-20-18-37/h3-16,25,29,31,34H,17-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					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
Procathepsin L (Homo sapiens (Human))	BDBM50137397 (CHEMBL341014 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H28N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L				Bioorg Med Chem Lett 14: 87-90 (2003) BindingDB Entry DOI: 10.7270/Q2930SKK
					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
Thymidylate synthase (Homo sapiens (Human))	BDBM50005324 (4-[4-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]qui...) Show SMILES Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccc(O)cc4)c3cc2[nH]1 Show InChI InChI=1S/C23H22N4O3S/c24-23-25-20-12-16-2-1-11-27(22(16)13-21(20)26-23)14-15-3-7-18(8-4-15)31(29,30)19-9-5-17(28)6-10-19/h3-10,12-13,28H,1-2,11,14H2,(H3,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					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
Thymidylate synthase (Homo sapiens (Human))	BDBM50005332 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-5,6,7,8-t...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(N)[nH]c4cc23)cc1 Show InChI InChI=1S/C24H24N4O3S/c1-31-18-6-10-20(11-7-18)32(29,30)19-8-4-16(5-9-19)15-28-12-2-3-17-13-21-22(14-23(17)28)27-24(25)26-21/h4-11,13-14H,2-3,12,15H2,1H3,(H3,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase (TS)				J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R
					More data for this Ligand-Target Pair

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