Compile Data Set for Download or QSAR

Found 631 hits with Last Name = 'wells-knecht' and Initial = 'kj'   

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 K (Homo sapiens (Human))	BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/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	0.0720	n/a	n/a	n/a	n/a	5.5	22
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50084655 (CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin K				Bioorg Med Chem Lett 14: 719-22 (2004) BindingDB Entry DOI: 10.7270/Q2QV3KX1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358895 (CHEMBL1923571) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)C(=O)N3CCOCC3)nn12 Show InChI InChI=1S/C24H23N5O3/c1-31-22-5-3-2-4-20(22)21-11-10-19-16-25-24(27-29(19)21)26-18-8-6-17(7-9-18)23(30)28-12-14-32-15-13-28/h2-11,16H,12-15H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358897 (CHEMBL1923573) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nn12 Show InChI InChI=1S/C23H23N5O2/c1-29-22-5-3-2-4-20(22)21-11-10-19-16-24-23(26-28(19)21)25-17-6-8-18(9-7-17)27-12-14-30-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358912 (CHEMBL1923588) Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C23H25N7O/c1-28-11-13-29(14-12-28)19-6-4-18(5-7-19)26-23-25-16-20-8-9-21(30(20)27-23)17-3-10-22(31-2)24-15-17/h3-10,15-16H,11-14H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177501 (CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1 |w:21.22| Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,21+/m0/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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358909 (CHEMBL1923585) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1 Show InChI InChI=1S/C27H33N7O2S/c1-27(2,3)31-37(35,36)24-7-5-6-20(18-24)25-13-12-23-19-28-26(30-34(23)25)29-21-8-10-22(11-9-21)33-16-14-32(4)15-17-33/h5-13,18-19,31H,14-17H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358907 (CHEMBL1923583) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nn12 Show InChI InChI=1S/C24H25FN6O/c1-29-11-13-30(14-12-29)22-9-7-17(15-20(22)25)27-24-26-16-18-8-10-21(31(18)28-24)19-5-3-4-6-23(19)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358899 (CHEMBL1923575) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3cccc(c3)N3CCOCC3)nn12 Show InChI InChI=1S/C23H23N5O2/c1-29-22-8-3-2-7-20(22)21-10-9-19-16-24-23(26-28(19)21)25-17-5-4-6-18(15-17)27-11-13-30-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148292 (((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...) Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358904 (CHEMBL1923580) Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1F |r| Show InChI InChI=1S/C29H36FN7O3S/c1-20(38)19-35-12-14-36(15-13-35)27-10-8-22(17-25(27)30)32-28-31-18-23-9-11-26(37(23)33-28)21-6-5-7-24(16-21)41(39,40)34-29(2,3)4/h5-11,16-18,20,34,38H,12-15,19H2,1-4H3,(H,32,33)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358914 (CHEMBL1923590) Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12 Show InChI InChI=1S/C23H24ClN7O/c1-29-9-11-30(12-10-29)21-6-4-17(13-19(21)24)27-23-26-15-18-5-7-20(31(18)28-23)16-3-8-22(32-2)25-14-16/h3-8,13-15H,9-12H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358913 (CHEMBL1923589) Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nn12 Show InChI InChI=1S/C23H24FN7O/c1-29-9-11-30(12-10-29)21-6-4-17(13-19(21)24)27-23-26-15-18-5-7-20(31(18)28-23)16-3-8-22(32-2)25-14-16/h3-8,13-15H,9-12H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50179446 ((S)-4,4-dimethyl-2-oxo-1-((4-(trifluoromethyl)phen...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C25H29F3N6O6/c1-4-5-6-16(18(35)20(36)32-17-11-12-29-33-17)31-23(39)40-19-21(37)34(13-24(19,2)3)22(38)30-15-9-7-14(8-10-15)25(26,27)28/h7-12,16,19H,4-6,13H2,1-3H3,(H,30,38)(H,31,39)(H2,29,32,33,36)/t16-,19+/m0/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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358898 (CHEMBL1923574) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C[C@H](C)O)CC3)nn12 |r| Show InChI InChI=1S/C26H30N6O2/c1-19(33)18-30-13-15-31(16-14-30)21-9-7-20(8-10-21)28-26-27-17-22-11-12-24(32(22)29-26)23-5-3-4-6-25(23)34-2/h3-12,17,19,33H,13-16,18H2,1-2H3,(H,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358903 (CHEMBL1923579) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C[C@H](C)O)CC4)c(F)c3)nn12 |r| Show InChI InChI=1S/C26H29FN6O2/c1-18(34)17-31-11-13-32(14-12-31)24-9-7-19(15-22(24)27)29-26-28-16-20-8-10-23(33(20)30-26)21-5-3-4-6-25(21)35-2/h3-10,15-16,18,34H,11-14,17H2,1-2H3,(H,29,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358908 (CHEMBL1923584) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12 Show InChI InChI=1S/C24H25ClN6O/c1-29-11-13-30(14-12-29)22-9-7-17(15-20(22)25)27-24-26-16-18-8-10-21(31(18)28-24)19-5-3-4-6-23(19)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148298 (((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358893 (CHEMBL1923594) Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(C[C@H](C)O)CC3)nn12 |r| Show InChI InChI=1S/C26H30N6O2/c1-18(33)17-31-13-11-20(12-14-31)19-3-6-22(7-4-19)29-26-28-16-23-8-9-24(32(23)30-26)21-5-10-25(34-2)27-15-21/h3-10,15-16,18,20,33H,11-14,17H2,1-2H3,(H,29,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358894 (CHEMBL1923570) Show SMILES COc1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)cc1 Show InChI InChI=1S/C20H18N4O2/c1-25-16-10-7-14(8-11-16)22-20-21-13-15-9-12-18(24(15)23-20)17-5-3-4-6-19(17)26-2/h3-13H,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50363253 (CHEMBL1946804) Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3 Show InChI InChI=1S/C26H32ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h6,8,13-16H,5,7,9-12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...				J Med Chem 55: 449-64 (2012) Article DOI: 10.1021/jm201333e BindingDB Entry DOI: 10.7270/Q2BP0370
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358901 (CHEMBL1923577) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3cccc(c3)N3CCN(C[C@H](C)O)CC3)nn12 |r| Show InChI InChI=1S/C26H30N6O2/c1-19(33)18-30-12-14-31(15-13-30)21-7-5-6-20(16-21)28-26-27-17-22-10-11-24(32(22)29-26)23-8-3-4-9-25(23)34-2/h3-11,16-17,19,33H,12-15,18H2,1-2H3,(H,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358891 (CHEMBL1923593) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(C[C@H](C)O)CC3)nn12 |r| Show InChI InChI=1S/C27H31N5O2/c1-19(33)18-31-15-13-21(14-16-31)20-7-9-22(10-8-20)29-27-28-17-23-11-12-25(32(23)30-27)24-5-3-4-6-26(24)34-2/h3-12,17,19,21,33H,13-16,18H2,1-2H3,(H,29,30)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99619 (CHEMBL2062807 | US8501936, 120) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12 Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-19(8-10-21)22-6-3-11-29-23(22)26-24(27-29)25-20-5-2-4-18(16-20)17-28-12-14-35(32,33)15-13-28/h2-11,16H,12-15,17H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99563 (CHEMBL2062809 | US8501936, 61) Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50139490 (2,2,4,4-tetramethylpentan-3-yl(S)-1,2-dioxo-1-((R)...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)(C)C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C25H40N2O4/c1-9-10-16-19(27-23(30)31-22(24(3,4)5)25(6,7)8)20(28)21(29)26-17(2)18-14-12-11-13-15-18/h11-15,17,19,22H,9-10,16H2,1-8H3,(H,26,29)(H,27,30)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin K				Bioorg Med Chem Lett 14: 719-22 (2004) BindingDB Entry DOI: 10.7270/Q2QV3KX1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50139481 ((R)-2,2-dimethyl-6-phenylhexan-3-yl(S)-1,2-dioxo-1...) Show SMILES CCCC[C@H](NC(=O)O[C@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H42N2O4/c1-6-7-20-25(27(33)28(34)31-22(2)24-18-12-9-13-19-24)32-29(35)36-26(30(3,4)5)21-14-17-23-15-10-8-11-16-23/h8-13,15-16,18-19,22,25-26H,6-7,14,17,20-21H2,1-5H3,(H,31,34)(H,32,35)/t22-,25+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin K				Bioorg Med Chem Lett 14: 719-22 (2004) BindingDB Entry DOI: 10.7270/Q2QV3KX1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358900 (CHEMBL1923576) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)19-7-5-6-18(16-19)26-24-25-17-20-10-11-22(30(20)27-24)21-8-3-4-9-23(21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99529 (CHEMBL2062802 | US8501936, 27) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12 Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-9-7-17(8-10-20)21-6-3-11-28-22(21)25-23(26-28)24-18-4-2-5-19(16-18)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50179439 ((S)-1-(benzo[d]thiazole-2-carbonyl)-4,4-dimethyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1nc2ccccc2s1)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C25H28N6O6S/c1-4-5-8-15(18(32)20(33)29-17-11-12-26-30-17)28-24(36)37-19-22(34)31(13-25(19,2)3)23(35)21-27-14-9-6-7-10-16(14)38-21/h6-7,9-12,15,19H,4-5,8,13H2,1-3H3,(H,28,36)(H2,26,29,30,33)/t15-,19+/m0/s1	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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C23H29FN4O4/c1-2-3-5-18(20(29)21(30)27-19-10-13-25-28-19)26-22(31)32-15-23(11-4-12-23)14-16-6-8-17(24)9-7-16/h6-10,13,18H,2-5,11-12,14-15H2,1H3,(H,26,31)(H2,25,27,28,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50389186 (CHEMBL2062803 | US8501936, 4) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12 Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358890 (CHEMBL1923592) Show SMILES C[C@H](O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1 |r| Show InChI InChI=1S/C28H34N6O3S/c1-20(35)19-33-16-14-22(15-17-33)21-8-10-23(11-9-21)30-28-29-18-24-12-13-27(34(24)31-28)25-6-4-5-7-26(25)32(2)38(3,36)37/h4-13,18,20,22,35H,14-17,19H2,1-3H3,(H,30,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177494 (CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1 |w:19.20| Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/m0/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	0.940	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50179454 ((S)-4,4-dimethyl-2-oxo-1-(2-(trifluoromethyl)-1,3,...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1nnc(s1)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C21H24F3N7O6S/c1-4-5-6-10(12(32)14(33)27-11-7-8-25-28-11)26-19(36)37-13-16(34)31(9-20(13,2)3)17(35)15-29-30-18(38-15)21(22,23)24/h7-8,10,13H,4-6,9H2,1-3H3,(H,26,36)(H2,25,27,28,33)/t10-,13+/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358910 (CHEMBL1923586) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1F Show InChI InChI=1S/C27H32FN7O2S/c1-27(2,3)32-38(36,37)22-7-5-6-19(16-22)24-11-9-21-18-29-26(31-35(21)24)30-20-8-10-25(23(28)17-20)34-14-12-33(4)13-15-34/h5-11,16-18,32H,12-15H2,1-4H3,(H,30,31)	PDB 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358902 (CHEMBL1923578) Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1F |r| Show InChI InChI=1S/C27H32FN7O3S/c1-19(36)18-33-12-14-34(15-13-33)26-10-8-20(16-23(26)28)30-27-29-17-21-9-11-25(35(21)31-27)22-6-4-5-7-24(22)32(2)39(3,37)38/h4-11,16-17,19,36H,12-15,18H2,1-3H3,(H,30,31)/t19-/m0/s1	PDB 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50139496 ((R)-4,4-dimethyl-1-phenylpentan-3-yl(S)-1,2-dioxo-...) Show SMILES CCCC[C@H](NC(=O)O[C@H](CCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C29H40N2O4/c1-6-7-18-24(26(32)27(33)30-21(2)23-16-12-9-13-17-23)31-28(34)35-25(29(3,4)5)20-19-22-14-10-8-11-15-22/h8-17,21,24-25H,6-7,18-20H2,1-5H3,(H,30,33)(H,31,34)/t21-,24+,25-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177503 (CHEMBL426308 | {(S)-1-[(2,3-dihydro-indole-1-carbo...) Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12 |w:23.24| Show InChI InChI=1S/C28H36N4O3/c1-2-3-14-24(21-29-31-26(33)32-19-16-23-13-7-8-15-25(23)32)30-27(34)35-28(17-9-10-18-28)20-22-11-5-4-6-12-22/h4-8,11-13,15,21,24H,2-3,9-10,14,16-20H2,1H3,(H,30,34)(H,31,33)/t24-/m0/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50139496 ((R)-4,4-dimethyl-1-phenylpentan-3-yl(S)-1,2-dioxo-...) Show SMILES CCCC[C@H](NC(=O)O[C@H](CCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C29H40N2O4/c1-6-7-18-24(26(32)27(33)30-21(2)23-16-12-9-13-17-23)31-28(34)35-25(29(3,4)5)20-19-22-14-10-8-11-15-22/h8-17,21,24-25H,6-7,18-20H2,1-5H3,(H,30,33)(H,31,34)/t21-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin K				Bioorg Med Chem Lett 14: 719-22 (2004) BindingDB Entry DOI: 10.7270/Q2QV3KX1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358906 (CHEMBL1923582) Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H28ClN7O2S/c1-30-12-14-32(15-13-30)24-10-8-18(16-21(24)26)28-25-27-17-19-9-11-23(33(19)29-25)20-6-4-5-7-22(20)31(2)36(3,34)35/h4-11,16-17H,12-15H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99559 (CHEMBL2062808 | US8501936, 57) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358916 (CHEMBL1923569) Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1 |r| Show InChI InChI=1S/C27H33N7O3S/c1-20(35)19-32-14-16-33(17-15-32)22-10-8-21(9-11-22)29-27-28-18-23-12-13-26(34(23)30-27)24-6-4-5-7-25(24)31(2)38(3,36)37/h4-13,18,20,35H,14-17,19H2,1-3H3,(H,29,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50358911 (CHEMBL1923587) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1Cl Show InChI InChI=1S/C27H32ClN7O2S/c1-27(2,3)32-38(36,37)22-7-5-6-19(16-22)24-11-9-21-18-29-26(31-35(21)24)30-20-8-10-25(23(28)17-20)34-14-12-33(4)13-15-34/h5-11,16-18,32H,12-15H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99555 (CHEMBL2062810 | US8501936, 53) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H30N6O2S/c1-19(2)35(33,34)23-11-9-20(10-12-23)24-8-5-13-32-25(24)28-26(29-32)27-21-6-4-7-22(18-21)31-16-14-30(3)15-17-31/h4-13,18-19H,14-17H2,1-3H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99611 (CHEMBL2062801 | US8501936, 112) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99542 (CHEMBL2062798 | US8501936, 40) Show SMILES COc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O3S/c1-27-16-6-3-5-15(13-16)21-20-22-19-18(7-4-12-24(19)23-20)14-8-10-17(11-9-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair

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