Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'hirao' and Initial = 'h'   

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
Cathepsin S (Homo sapiens (Human))	BDBM50273289 (2-Cyano-4-(1-methyl-piperidin-4-yloxy)-6-[(spiro[2...) Show SMILES CN1CCC(CC1)Oc1nc(nc(NCC2CCC3(CC3)CC2)c1C(=O)NCc1ccccc1)C#N Show InChI InChI=1S/C28H36N6O2/c1-34-15-9-22(10-16-34)36-27-24(26(35)31-19-20-5-3-2-4-6-20)25(32-23(17-29)33-27)30-18-21-7-11-28(12-8-21)13-14-28/h2-6,21-22H,7-16,18-19H2,1H3,(H,31,35)(H,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252500 (6-(4-chlorobenzyl)-7-(3,3-dimethylbutyl)-7H-pyrrol...) Show SMILES CC(C)(C)CCn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C20H21ClN4/c1-20(2,3)8-9-25-17(10-14-4-6-16(21)7-5-14)11-15-13-23-18(12-22)24-19(15)25/h4-7,11,13H,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263668 (2-Cyano-4-[2-(1-methyl-piperidin-4-yl)-ethoxy]-6-[...) Show SMILES CNC(=O)c1c(NCC2CCC3(CC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-16-18-3-8-24(9-4-18)10-11-24)28-19(15-25)29-23(20)32-14-7-17-5-12-30(2)13-6-17/h17-18H,3-14,16H2,1-2H3,(H,26,31)(H,27,28,29)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50273288 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,17-21-5-3-2-4-6-21)33-26(35)23-20-30-24(18-29)32-25(23)31-19-22-7-9-27(10-8-22)11-12-27/h2-6,20,22H,7-17,19H2,1H3,(H,33,35)(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50272786 (5-Bromo-4-[2-(1-methyl-piperidin-4-yl)-ethoxy]-6-[...) Show SMILES CN1CCC(CCOc2nc(nc(NCC3CCC4(CC4)CC3)c2Br)C#N)CC1 Show InChI InChI=1S/C22H32BrN5O/c1-28-11-4-16(5-12-28)6-13-29-21-19(23)20(26-18(14-24)27-21)25-15-17-2-7-22(8-3-17)9-10-22/h16-17H,2-13,15H2,1H3,(H,25,26,27)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50251889 (4-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C23H25N5O2/c24-13-21-26-14-18-12-19(15-30-20-8-6-17(7-9-20)22(25)29)28(23(18)27-21)11-10-16-4-2-1-3-5-16/h6-9,12,14,16H,1-5,10-11,15H2,(H2,25,29)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263609 (2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50273220 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(c1)-c1ccccc1 Show InChI InChI=1S/C33H38N6O2/c1-39-17-11-25(12-18-39)41-26-7-8-29(27(19-26)24-5-3-2-4-6-24)37-32(40)28-22-35-30(20-34)38-31(28)36-21-23-9-13-33(14-10-23)15-16-33/h2-8,19,22-23,25H,9-18,21H2,1H3,(H,37,40)(H,35,36,38)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263557 (2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263555 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-15-17-4-10-24(11-5-17)8-3-9-24)28-19(14-25)29-23(20)32-16-18-6-12-30(2)13-7-18/h17-18H,3-13,15-16H2,1-2H3,(H,26,31)(H,27,28,29)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50273256 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES O=C(N[C@@H](CN1CCCC1)Cc1ccccn1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N |r| Show InChI InChI=1S/C27H35N7O/c28-16-24-30-18-23(25(33-24)31-17-20-6-8-27(9-7-20)10-11-27)26(35)32-22(19-34-13-3-4-14-34)15-21-5-1-2-12-29-21/h1-2,5,12,18,20,22H,3-4,6-11,13-15,17,19H2,(H,32,35)(H,30,31,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263611 (2-cyano-N-methyl-4-(spiro[3.5]nonan-7-ylmethylamin...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N Show InChI InChI=1S/C26H40N6O2/c1-24(2)13-18(14-25(3,4)32-24)34-23-20(22(33)28-5)21(30-19(15-27)31-23)29-16-17-7-11-26(12-8-17)9-6-10-26/h17-18,32H,6-14,16H2,1-5H3,(H,28,33)(H,29,30,31)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263610 (2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-(spir...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N Show InChI InChI=1S/C23H34N6O2/c1-25-21(30)19-20(27-14-16-3-9-23(10-4-16)7-2-8-23)28-18(13-24)29-22(19)31-15-17-5-11-26-12-6-17/h16-17,26H,2-12,14-15H2,1H3,(H,25,30)(H,27,28,29)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25138 (2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252656 (7-(2-cyclohexylethyl)-6-((pyridin-4-yloxy)methyl)-...) Show SMILES N#Cc1ncc2cc(CSc3ccncc3)n(CCC3CCCCC3)c2n1 Show InChI InChI=1S/C21H23N5S/c22-13-20-24-14-17-12-18(15-27-19-6-9-23-10-7-19)26(21(17)25-20)11-8-16-4-2-1-3-5-16/h6-7,9-10,12,14,16H,1-5,8,11,15H2	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50251887 (3-(3-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,...) Show SMILES OC(=O)CCc1cccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c1 Show InChI InChI=1S/C25H28N4O3/c26-15-23-27-16-20-14-21(17-32-22-8-4-7-19(13-22)9-10-24(30)31)29(25(20)28-23)12-11-18-5-2-1-3-6-18/h4,7-8,13-14,16,18H,1-3,5-6,9-12,17H2,(H,30,31)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263667 (2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-(spiro[3.5]...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N Show InChI InChI=1S/C19H27N5O3/c1-21-17(26)15-16(23-14(11-20)24-18(15)27-10-9-25)22-12-13-3-7-19(8-4-13)5-2-6-19/h13,25H,2-10,12H2,1H3,(H,21,26)(H,22,23,24)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50252502 (6-(4-chlorobenzyl)-7-(cyclohexylmethyl)-7H-pyrrolo...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C21H21ClN4/c22-18-8-6-15(7-9-18)10-19-11-17-13-24-20(12-23)25-21(17)26(19)14-16-4-2-1-3-5-16/h6-9,11,13,16H,1-5,10,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50273286 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(CNC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)(CC1)c1ccccc1 Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,22-5-3-2-4-6-22)20-32-26(35)23-19-30-24(17-29)33-25(23)31-18-21-7-9-27(10-8-21)11-12-27/h2-6,19,21H,7-16,18,20H2,1H3,(H,32,35)(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50273287 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(CC1)(NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N)c1ccccc1 Show InChI InChI=1S/C27H34N6O/c1-33-15-13-27(14-16-33,21-5-3-2-4-6-21)32-25(34)22-19-29-23(17-28)31-24(22)30-18-20-7-9-26(10-8-20)11-12-26/h2-6,19-20H,7-16,18H2,1H3,(H,32,34)(H,29,30,31)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50251888 (3-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)c1cccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c1 Show InChI InChI=1S/C23H25N5O2/c24-13-21-26-14-18-11-19(15-30-20-8-4-7-17(12-20)22(25)29)28(23(18)27-21)10-9-16-5-2-1-3-6-16/h4,7-8,11-12,14,16H,1-3,5-6,9-10,15H2,(H2,25,29)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252543 (6-(4-chlorobenzyl)-7-(2-cyclopentylethyl)-7H-pyrro...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C21H21ClN4/c22-18-7-5-16(6-8-18)11-19-12-17-14-24-20(13-23)25-21(17)26(19)10-9-15-3-1-2-4-15/h5-8,12,14-15H,1-4,9-11H2	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50251942 (CHEMBL520427 | N-(4-((2-cyano-7-(2-cyclohexylethyl...) Show SMILES CC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C24H27N5O2/c1-17(30)27-20-7-9-22(10-8-20)31-16-21-13-19-15-26-23(14-25)28-24(19)29(21)12-11-18-5-3-2-4-6-18/h7-10,13,15,18H,2-6,11-12,16H2,1H3,(H,27,30)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25136 (2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50273178 (2-cyano-4-(cyclohexylmethoxy)-N-phenethylpyrimidin...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1OCC1CCCCC1)C#N Show InChI InChI=1S/C21H24N4O2/c22-13-19-24-14-18(20(26)23-12-11-16-7-3-1-4-8-16)21(25-19)27-15-17-9-5-2-6-10-17/h1,3-4,7-8,14,17H,2,5-6,9-12,15H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263612 (4-((1-acetylpiperidin-4-yl)methoxy)-2-cyano-N-meth...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N Show InChI InChI=1S/C25H36N6O3/c1-17(32)31-12-6-19(7-13-31)16-34-24-21(23(33)27-2)22(29-20(14-26)30-24)28-15-18-4-10-25(11-5-18)8-3-9-25/h18-19H,3-13,15-16H2,1-2H3,(H,27,33)(H,28,29,30)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25141 (2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1 Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50272626 (2-Cyano-4-[2-(1-methyl-piperidin-4-yl)-ethoxy]-6-[...) Show SMILES CN1CCC(CCOc2nc(nc(NCC3CCC4(CC4)CC3)c2C(=O)NCCc2ccccc2)C#N)CC1 Show InChI InChI=1S/C31H42N6O2/c1-37-18-10-24(11-19-37)12-20-39-30-27(29(38)33-17-9-23-5-3-2-4-6-23)28(35-26(21-32)36-30)34-22-25-7-13-31(14-8-25)15-16-31/h2-6,24-25H,7-20,22H2,1H3,(H,33,38)(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252654 (7-(2-cyclohexylethyl)-6-(phenoxymethyl)-7H-pyrrolo...) Show SMILES N#Cc1ncc2cc(COc3ccccc3)n(CCC3CCCCC3)c2n1 Show InChI InChI=1S/C22H24N4O/c23-14-21-24-15-18-13-19(16-27-20-9-5-2-6-10-20)26(22(18)25-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19731 (2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252655 (7-(2-cyclohexylethyl)-6-((pyridin-2-yloxy)methyl)-...) Show SMILES N#Cc1ncc2cc(COc3ccccn3)n(CCC3CCCCC3)c2n1 Show InChI InChI=1S/C21H23N5O/c22-13-19-24-14-17-12-18(15-27-20-8-4-5-10-23-20)26(21(17)25-19)11-9-16-6-2-1-3-7-16/h4-5,8,10,12,14,16H,1-3,6-7,9,11,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263511 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-16-18-5-11-25(12-6-18)9-3-4-10-25)29-20(15-26)30-24(21)33-17-19-7-13-31(2)14-8-19/h18-19H,3-14,16-17H2,1-2H3,(H,27,32)(H,28,29,30)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252036 (CHEMBL481169 | N-(4-((2-cyano-7-(2-cyclohexylethyl...) Show SMILES CCC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C25H29N5O2/c1-2-24(31)28-20-8-10-22(11-9-20)32-17-21-14-19-16-27-23(15-26)29-25(19)30(21)13-12-18-6-4-3-5-7-18/h8-11,14,16,18H,2-7,12-13,17H2,1H3,(H,28,31)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252038 (6-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4-yl)phe...) Show SMILES CC(=O)N1CCC(=CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 |c:6| Show InChI InChI=1S/C29H33N5O2/c1-21(35)33-14-12-24(13-15-33)23-7-9-27(10-8-23)36-20-26-17-25-19-31-28(18-30)32-29(25)34(26)16-11-22-5-3-2-4-6-22/h7-10,12,17,19,22H,2-6,11,13-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50273178 (2-cyano-4-(cyclohexylmethoxy)-N-phenethylpyrimidin...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1OCC1CCCCC1)C#N Show InChI InChI=1S/C21H24N4O2/c22-13-19-24-14-18(20(26)23-12-11-16-7-3-1-4-8-16)21(25-19)27-15-17-9-5-2-6-10-17/h1,3-4,7-8,14,17H,2,5-6,9-12,15H2,(H,23,26)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25135 (2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1 Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50273218 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N Show InChI InChI=1S/C23H27N5O/c24-14-20-26-16-19(22(29)25-13-8-17-4-2-1-3-5-17)21(28-20)27-15-18-6-9-23(10-7-18)11-12-23/h1-5,16,18H,6-13,15H2,(H,25,29)(H,26,27,28)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50273176 (2-cyano-4-(cyclohexylmethylamino)-N-phenethylpyrim...) Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NCC1CCCCC1)C#N Show InChI InChI=1S/C21H25N5O/c22-13-19-24-15-18(20(26-19)25-14-17-9-5-2-6-10-17)21(27)23-12-11-16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-12,14H2,(H,23,27)(H,24,25,26)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252037 (6-((4-(1-acetylpiperidin-4-yl)phenoxy)methyl)-7-(2...) Show SMILES CC(=O)N1CCC(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H35N5O2/c1-21(35)33-14-12-24(13-15-33)23-7-9-27(10-8-23)36-20-26-17-25-19-31-28(18-30)32-29(25)34(26)16-11-22-5-3-2-4-6-22/h7-10,17,19,22,24H,2-6,11-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50251886 (4-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d...) Show SMILES OC(=O)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C23H24N4O3/c24-13-21-25-14-18-12-19(15-30-20-8-6-17(7-9-20)23(28)29)27(22(18)26-21)11-10-16-4-2-1-3-5-16/h6-9,12,14,16H,1-5,10-11,15H2,(H,28,29)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50252543 (6-(4-chlorobenzyl)-7-(2-cyclopentylethyl)-7H-pyrro...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C21H21ClN4/c22-18-7-5-16(6-8-18)11-19-12-17-14-24-20(13-23)25-21(17)26(19)10-9-15-3-1-2-4-15/h5-8,12,14-15H,1-4,9-11H2	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25139 (2-cyano-pyrropyrimidine, 7e | 7-[2-(4-chlorophenyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCc2ccc(Cl)cc2)C#N)cc1 Show InChI InChI=1S/C28H27ClN6O2/c1-20(36)33-12-14-34(15-13-33)24-6-8-26(9-7-24)37-19-25-16-22-18-31-27(17-30)32-28(22)35(25)11-10-21-2-4-23(29)5-3-21/h2-9,16,18H,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25135 (2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1 Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50252500 (6-(4-chlorobenzyl)-7-(3,3-dimethylbutyl)-7H-pyrrol...) Show SMILES CC(C)(C)CCn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C20H21ClN4/c1-20(2,3)8-9-25-17(10-14-4-6-16(21)7-5-14)11-15-13-23-18(12-22)24-19(15)25/h4-7,11,13H,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252547 (6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrol...) Show SMILES Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1 Show InChI InChI=1S/C22H16Cl2N4/c23-18-5-1-15(2-6-18)9-10-28-20(11-16-3-7-19(24)8-4-16)12-17-14-26-21(13-25)27-22(17)28/h1-8,12,14H,9-11H2	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair

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