Compile Data Set for Download or QSAR

Found 713 hits with Last Name = 'hudson' and Initial = 'ja'   

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 (Canis familiaris)	BDBM50395256 (CHEMBL2163587) Show SMILES COc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O3/c1-31-20-8-4-7-15-18-13-28(12-9-19(18)26-21(15)20)23(30)17-6-3-2-5-16(17)22(29)27-24(14-25)10-11-24/h4,7-8,16-17,26H,2-3,5-6,9-13H2,1H3,(H,27,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of dog recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395254 (CHEMBL2164682) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 |r| Show InChI InChI=1S/C23H26N4O2/c24-14-23(10-11-23)26-21(28)16-6-1-2-7-17(16)22(29)27-12-9-20-18(13-27)15-5-3-4-8-19(15)25-20/h3-5,8,16-17,25H,1-2,6-7,9-13H2,(H,26,28)/t16-,17-/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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395236 (CHEMBL2163360) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ncccc3c2C1 |r| Show InChI InChI=1S/C22H25N5O2/c23-13-22(8-9-22)26-20(28)15-4-1-2-5-16(15)21(29)27-11-7-18-17(12-27)14-6-3-10-24-19(14)25-18/h3,6,10,15-16H,1-2,4-5,7-9,11-12H2,(H,24,25)(H,26,28)/t15-,16-/m1/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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395235 (CHEMBL2164670) Show SMILES COc1ccccc1C(NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1)C#N |r| Show InChI InChI=1S/C28H33FN4O3/c1-36-26-9-5-4-8-24(26)25(18-30)31-27(34)22-6-2-3-7-23(22)28(35)33-16-14-32(15-17-33)19-20-10-12-21(29)13-11-20/h4-5,8-13,22-23,25H,2-3,6-7,14-17,19H2,1H3,(H,31,34)/t22-,23-,25?/m1/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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246762 (CHEMBL4078222) Show SMILES [H][C@]12CC(=O)N(C)[C@@]1([H])CCN(C2)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:16.21,wD:13.14,1.0,7.8,(12.7,-12.69,;14.04,-13.46,;14.36,-11.96,;15.89,-11.8,;16.66,-10.47,;16.52,-13.21,;18.02,-13.53,;15.37,-14.23,;16.7,-15,;15.36,-15.78,;14.03,-16.54,;12.7,-15.76,;12.7,-14.22,;11.37,-16.53,;10.03,-15.76,;8.7,-16.52,;8.7,-18.06,;10.03,-18.83,;11.36,-18.07,;7.37,-18.84,;7.37,-20.37,;8.71,-21.14,;8.71,-22.69,;7.38,-23.46,;6.04,-22.69,;4.57,-23.17,;3.66,-21.93,;4.56,-20.67,;4.07,-19.21,;5.09,-18.06,;4.61,-16.6,;3.11,-16.29,;2.08,-17.44,;2.56,-18.9,;6.04,-21.14,)| Show InChI InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246761 (CHEMBL4102501) Show SMILES [H][C@@]12CC(=O)N(C)[C@]1([H])CCN(C2)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:16.21,1.0,7.8,wD:13.14,(14.1,-14.84,;15.43,-15.62,;15.76,-14.11,;17.29,-13.95,;18.06,-12.62,;17.91,-15.36,;19.41,-15.68,;16.76,-16.39,;18.09,-17.15,;16.75,-17.93,;15.42,-18.69,;14.1,-17.92,;14.09,-16.38,;12.76,-18.68,;11.43,-17.91,;10.09,-18.68,;10.1,-20.22,;11.43,-20.99,;12.75,-20.22,;8.76,-20.99,;8.77,-22.53,;10.1,-23.29,;10.11,-24.84,;8.77,-25.61,;7.44,-24.84,;5.97,-25.33,;5.05,-24.09,;5.95,-22.83,;5.47,-21.37,;6.48,-20.21,;6,-18.76,;4.5,-18.44,;3.47,-19.59,;3.95,-21.06,;7.43,-23.3,)| Show InChI InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246779 (CHEMBL4080574) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:12.16,wD:9.9,(19.88,-14.05,;18.55,-13.27,;18.56,-11.73,;17.21,-14.03,;17.2,-15.57,;15.87,-16.33,;14.54,-15.55,;14.54,-14.01,;15.88,-13.25,;13.21,-16.32,;11.88,-15.54,;10.54,-16.31,;10.55,-17.85,;11.88,-18.62,;13.2,-17.85,;9.22,-18.62,;9.22,-20.16,;10.55,-20.92,;10.56,-22.47,;9.22,-23.24,;7.89,-22.47,;6.42,-22.96,;5.51,-21.72,;6.41,-20.46,;5.92,-19,;6.94,-17.84,;6.46,-16.39,;4.95,-16.07,;3.93,-17.22,;4.41,-18.69,;7.88,-20.93,)| Show InChI InChI=1S/C23H34N6O2/c1-16(30)28-8-10-29(11-9-28)19-4-2-18(3-5-19)27-23-21-20(17-6-12-31-13-7-17)14-24-22(21)25-15-26-23/h14-15,17-19H,2-13H2,1H3,(H2,24,25,26,27)/t18-,19-	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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395238 (CHEMBL2163589) Show SMILES FC(F)(F)Oc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H25F3N4O3/c25-24(26,27)34-19-7-3-6-14-17-12-31(11-8-18(17)29-20(14)19)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395244 (CHEMBL2163582) Show SMILES Clc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25ClN4O2/c24-18-7-3-6-14-17-12-28(11-8-19(17)26-20(14)18)22(30)16-5-2-1-4-15(16)21(29)27-23(13-25)9-10-23/h3,6-7,15-16,26H,1-2,4-5,8-12H2,(H,27,29)/t15-,16-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395228 (CHEMBL2164674) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C19H23N3O2/c20-10-11-21-18(23)16-7-3-4-8-17(16)19(24)22-12-9-14-5-1-2-6-15(14)13-22/h1-2,5-6,16-17H,3-4,7-9,11-13H2,(H,21,23)/t16-,17-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395241 (CHEMBL2163585) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3c(cccc3c2C1)C#N |r| Show InChI InChI=1S/C24H25N5O2/c25-12-15-4-3-7-16-19-13-29(11-8-20(19)27-21(15)16)23(31)18-6-2-1-5-17(18)22(30)28-24(14-26)9-10-24/h3-4,7,17-18,27H,1-2,5-6,8-11,13H2,(H,28,30)/t17-,18-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246777 (CHEMBL4067181) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:13.17,wD:10.10,(21.79,-16.28,;21.8,-14.75,;20.47,-13.96,;20.48,-12.42,;19.14,-14.73,;19.13,-16.27,;17.79,-17.02,;16.47,-16.25,;16.47,-14.71,;17.81,-13.95,;15.14,-17.01,;13.8,-16.24,;12.46,-17.01,;12.47,-18.55,;13.8,-19.32,;15.13,-18.55,;11.14,-19.32,;11.14,-20.86,;12.48,-21.62,;12.48,-23.17,;11.15,-23.94,;9.81,-23.17,;8.35,-23.65,;7.43,-22.41,;8.33,-21.15,;7.85,-19.7,;8.87,-18.54,;8.38,-17.09,;6.88,-16.77,;5.85,-17.92,;6.33,-19.39,;9.81,-21.62,)| Show InChI InChI=1S/C23H34N6O3/c1-31-23(30)29-10-8-28(9-11-29)18-4-2-17(3-5-18)27-22-20-19(16-6-12-32-13-7-16)14-24-21(20)25-15-26-22/h14-18H,2-13H2,1H3,(H2,24,25,26,27)/t17-,18-	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246809 (CHEMBL4104802) Show SMILES CN(C)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.28,-15.59,;20.29,-14.05,;21.63,-13.29,;18.96,-13.27,;18.97,-11.73,;17.62,-14.03,;17.61,-15.57,;16.28,-16.33,;14.96,-15.55,;14.95,-14.01,;16.3,-13.25,;13.62,-16.32,;12.29,-15.54,;10.95,-16.31,;10.96,-17.85,;12.29,-18.62,;13.62,-17.86,;9.63,-18.62,;9.63,-20.16,;10.96,-20.92,;10.97,-22.47,;9.63,-23.24,;8.3,-22.47,;6.83,-22.96,;5.92,-21.72,;6.82,-20.46,;6.33,-19,;7.35,-17.85,;6.87,-16.39,;5.36,-16.07,;4.34,-17.22,;4.82,-18.69,;8.29,-20.93,)| Show InChI InChI=1S/C24H37N7O2/c1-29(2)24(32)31-11-9-30(10-12-31)19-5-3-18(4-6-19)28-23-21-20(17-7-13-33-14-8-17)15-25-22(21)26-16-27-23/h15-19H,3-14H2,1-2H3,(H2,25,26,27,28)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246810 (CHEMBL4078625) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCC3)c12 |r,wU:6.9,wD:3.2,(14.47,-18.02,;13.14,-17.24,;13.15,-15.7,;11.81,-18.01,;10.48,-17.24,;9.14,-18,;9.15,-19.55,;10.47,-20.31,;11.8,-19.55,;7.81,-20.32,;7.81,-21.86,;9.15,-22.62,;9.15,-24.17,;7.82,-24.94,;6.49,-24.17,;5.02,-24.65,;4.1,-23.41,;5,-22.15,;4.52,-20.69,;5.2,-19.31,;3.82,-18.63,;3.13,-20,;6.48,-22.62,)| Show InChI InChI=1S/C18H27N5/c1-23(2)14-8-6-13(7-9-14)22-18-16-15(12-4-3-5-12)10-19-17(16)20-11-21-18/h10-14H,3-9H2,1-2H3,(H2,19,20,21,22)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395234 (CHEMBL2164669) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC(C#N)c1ccccc1 |r| Show InChI InChI=1S/C26H29FN4O2/c27-20-10-12-21(13-11-20)30-14-16-31(17-15-30)26(33)23-9-5-4-8-22(23)25(32)29-24(18-28)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-24H,4-5,8-9,14-17H2,(H,29,32)/t22-,23-,24?/m1/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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395250 (CHEMBL2164687) Show SMILES Clc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25ClN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395251 (CHEMBL2164686) Show SMILES Cn1c2CCN(Cc2c2c(F)c(F)ccc12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F2N4O2/c1-29-18-8-11-30(12-16(18)20-19(29)7-6-17(25)21(20)26)23(32)15-5-3-2-4-14(15)22(31)28-24(13-27)9-10-24/h6-7,14-15H,2-5,8-12H2,1H3,(H,28,31)/t14-,15-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397138 (CHEMBL2172003) Show SMILES COc1cc(ccc1C1CC1)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C27H36N4O3/c1-18-16-30(20-9-10-21(19-7-8-19)24(15-20)34-2)13-14-31(18)26(33)23-6-4-3-5-22(23)25(32)29-27(17-28)11-12-27/h9-10,15,18-19,22-23H,3-8,11-14,16H2,1-2H3,(H,29,32)/t18-,22-,23-/m1/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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395243 (CHEMBL2163583) Show SMILES Cc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O2/c1-15-5-4-8-16-19-13-28(12-9-20(19)26-21(15)16)23(30)18-7-3-2-6-17(18)22(29)27-24(14-25)10-11-24/h4-5,8,17-18,26H,2-3,6-7,9-13H2,1H3,(H,27,29)/t17-,18-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395239 (CHEMBL2163588) Show SMILES CSc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O2S/c1-31-20-8-4-7-15-18-13-28(12-9-19(18)26-21(15)20)23(30)17-6-3-2-5-16(17)22(29)27-24(14-25)10-11-24/h4,7-8,16-17,26H,2-3,5-6,9-13H2,1H3,(H,27,29)/t16-,17-/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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395242 (CHEMBL2163584) Show SMILES Brc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25BrN4O2/c24-18-7-3-6-14-17-12-28(11-8-19(17)26-20(14)18)22(30)16-5-2-1-4-15(16)21(29)27-23(13-25)9-10-23/h3,6-7,15-16,26H,1-2,4-5,8-12H2,(H,27,29)/t15-,16-/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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246764 (CHEMBL4087063) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(S[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(11.36,-19.45,;11.84,-20.9,;10.82,-22.06,;9.31,-21.75,;8.83,-20.28,;9.85,-19.13,;11.31,-23.52,;10.41,-24.78,;11.32,-26.02,;12.79,-25.53,;14.12,-26.3,;15.46,-25.53,;15.45,-23.98,;14.12,-23.22,;14.12,-21.68,;15.45,-20.91,;15.44,-19.37,;16.78,-18.6,;18.11,-19.38,;18.1,-20.91,;16.78,-21.68,;19.45,-18.61,;20.77,-19.39,;22.1,-18.63,;22.11,-17.08,;20.78,-16.31,;19.44,-17.07,;12.78,-23.99,)| Show InChI InChI=1S/C21H30N4O2S/c1-3-17(4-2-16(1)25-7-11-27-12-8-25)28-21-19-18(15-5-9-26-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H,22,23,24)/t16-,17-	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	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397142 (CHEMBL2172005) Show SMILES COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H34N4O4/c1-17-15-28(18-8-9-21(32-2)22(14-18)33-3)12-13-29(17)24(31)20-7-5-4-6-19(20)23(30)27-25(16-26)10-11-25/h8-9,14,17,19-20H,4-7,10-13,15H2,1-3H3,(H,27,30)/t17-,19-,20-/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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human haspin (471 end residues) expressed in baculovirus infected Sf21 insect cells				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395253 (CHEMBL2164684) Show SMILES Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25FN4O2/c24-14-5-6-15-18-12-28(10-7-19(18)26-20(15)11-14)22(30)17-4-2-1-3-16(17)21(29)27-23(13-25)8-9-23/h5-6,11,16-17,26H,1-4,7-10,12H2,(H,27,29)/t16-,17-/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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246814 (CHEMBL4085735) Show SMILES CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(7.92,-21.16,;6.89,-22.31,;5.39,-22.01,;7.38,-23.77,;6.48,-25.04,;7.39,-26.27,;8.86,-25.79,;10.2,-26.56,;11.53,-25.79,;11.53,-24.24,;10.19,-23.48,;10.19,-21.94,;11.52,-21.17,;11.51,-19.63,;12.85,-18.86,;14.19,-19.63,;14.18,-21.17,;12.85,-21.94,;15.52,-18.87,;16.85,-19.64,;15.53,-17.33,;8.86,-24.24,)| Show InChI InChI=1S/C17H27N5/c1-11(2)14-9-18-16-15(14)17(20-10-19-16)21-12-5-7-13(8-6-12)22(3)4/h9-13H,5-8H2,1-4H3,(H2,18,19,20,21)/t12-,13-	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	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246811 (CHEMBL4063689) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C)c12 |r,wU:6.9,wD:3.2,(14.98,-17.83,;13.65,-17.06,;13.66,-15.52,;12.32,-17.82,;10.98,-17.05,;9.64,-17.82,;9.65,-19.36,;10.98,-20.12,;12.31,-19.36,;8.32,-20.13,;8.32,-21.67,;9.66,-22.43,;9.66,-23.98,;8.33,-24.75,;6.99,-23.98,;5.53,-24.46,;4.61,-23.22,;5.51,-21.96,;5.03,-20.5,;6.99,-22.43,)| Show InChI InChI=1S/C15H23N5/c1-10-8-16-14-13(10)15(18-9-17-14)19-11-4-6-12(7-5-11)20(2)3/h8-9,11-12H,4-7H2,1-3H3,(H2,16,17,18,19)/t11-,12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395240 (CHEMBL2163586) Show SMILES FC(F)(F)c1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H25F3N4O2/c25-24(26,27)18-7-3-6-14-17-12-31(11-8-19(17)29-20(14)18)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...) Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50397137 (CHEMBL2172002) Show SMILES COc1ccc(nc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H33N5O4/c1-16-14-28(20-9-8-19(32-2)22(26-20)33-3)12-13-29(16)23(31)18-7-5-4-6-17(18)21(30)27-24(15-25)10-11-24/h8-9,16-18H,4-7,10-14H2,1-3H3,(H,27,30)/t16-,17-,18-/m1/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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected Sf21 insect cells				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human CLK2 (138 end residues) expressed in baculovirus infected Sf21 cells				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...) Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin-k				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair				3D Structure (docked)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246789 (CHEMBL4097418) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCC3)c12 |r,wU:6.9,wD:3.2,(17.96,-17.39,;16.63,-16.62,;16.63,-15.08,;15.29,-17.38,;13.96,-16.61,;12.62,-17.38,;12.63,-18.92,;13.96,-19.69,;15.29,-18.92,;11.3,-19.69,;11.3,-21.23,;12.63,-21.99,;12.64,-23.54,;11.3,-24.31,;9.97,-23.54,;8.5,-24.03,;7.59,-22.79,;8.49,-21.53,;8,-20.07,;8.9,-18.81,;7.99,-17.57,;6.52,-18.05,;6.54,-19.59,;9.96,-22,)| Show InChI InChI=1S/C19H29N5/c1-24(2)15-9-7-14(8-10-15)23-19-17-16(13-5-3-4-6-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246813 (CHEMBL4089379) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:6.9,wD:3.2,(14.29,-16.13,;12.96,-15.36,;12.96,-13.82,;11.62,-16.12,;10.29,-15.35,;8.95,-16.12,;8.96,-17.66,;10.29,-18.42,;11.62,-17.66,;7.63,-18.43,;7.63,-19.96,;8.97,-20.73,;8.97,-22.28,;7.64,-23.05,;6.3,-22.28,;4.84,-22.76,;3.92,-21.52,;4.82,-20.26,;4.34,-18.8,;5.35,-17.65,;4.87,-16.2,;3.37,-15.88,;2.34,-17.03,;2.82,-18.49,;6.3,-20.73,)| Show InChI InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50397141 (CHEMBL2172006) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N)c1ccccc1 |r| Show InChI InChI=1S/C21H28N4O2/c1-16-15-24(17-7-3-2-4-8-17)13-14-25(16)21(27)19-10-6-5-9-18(19)20(26)23-12-11-22/h2-4,7-8,16,18-19H,5-6,9-10,12-15H2,1H3,(H,23,26)/t16-,18-,19-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397117 (CHEMBL2171986) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C21H28N4O3/c1-28-17-8-6-16(7-9-17)24-12-14-25(15-13-24)21(27)19-5-3-2-4-18(19)20(26)23-11-10-22/h6-9,18-19H,2-5,11-15H2,1H3,(H,23,26)/t18-,19-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397126 (CHEMBL2171988) Show SMILES COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C22H30N4O4/c1-29-19-8-7-16(15-20(19)30-2)25-11-13-26(14-12-25)22(28)18-6-4-3-5-17(18)21(27)24-10-9-23/h7-8,15,17-18H,3-6,10-14H2,1-2H3,(H,24,27)/t17-,18-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395226 (CHEMBL2164676) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c21-10-11-22-19(25)17-8-4-5-9-18(17)20(26)24-14-12-23(13-15-24)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-9,11-15H2,(H,22,25)/t17-,18-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395226 (CHEMBL2164676) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c21-10-11-22-19(25)17-8-4-5-9-18(17)20(26)24-14-12-23(13-15-24)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-9,11-15H2,(H,22,25)/t17-,18-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246783 (CHEMBL4081502) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)| Show InChI InChI=1S/C18H27N5O/c1-23(2)14-5-3-13(4-6-14)22-18-16-15(12-7-8-24-10-12)9-19-17(16)20-11-21-18/h9,11-14H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t12?,13-,14-	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal GST-tagged human CLK4 (128 end residues) expressed in baculovirus infected Sf21 insect cells				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397134 (CHEMBL2172000) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)nn(C)c2c1 |r| Show InChI InChI=1S/C26H34N6O2/c1-17-15-31(19-8-9-20-18(2)29-30(3)23(20)14-19)12-13-32(17)25(34)22-7-5-4-6-21(22)24(33)28-26(16-27)10-11-26/h8-9,14,17,21-22H,4-7,10-13,15H2,1-3H3,(H,28,33)/t17-,21-,22-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397127 (CHEMBL2171987) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C21H28N4O3/c1-28-17-6-4-5-16(15-17)24-11-13-25(14-12-24)21(27)19-8-3-2-7-18(19)20(26)23-10-9-22/h4-6,15,18-19H,2-3,7-8,10-14H2,1H3,(H,23,26)/t18-,19-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246783 (CHEMBL4081502) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)| Show InChI InChI=1S/C18H27N5O/c1-23(2)14-5-3-13(4-6-14)22-18-16-15(12-7-8-24-10-12)9-19-17(16)20-11-21-18/h9,11-14H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t12?,13-,14-	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246772 (CHEMBL4086115) Show SMILES CN(C)C(=O)C1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.57,-15.78,;20.58,-14.24,;21.92,-13.48,;19.26,-13.46,;19.27,-11.92,;17.92,-14.22,;17.91,-15.76,;16.58,-16.52,;15.25,-15.74,;15.25,-14.21,;16.59,-13.44,;13.92,-16.51,;12.58,-15.74,;11.24,-16.5,;11.25,-18.05,;12.58,-18.81,;13.91,-18.05,;9.92,-18.82,;9.92,-20.36,;11.26,-21.12,;11.26,-22.67,;9.92,-23.44,;8.59,-22.67,;7.12,-23.15,;6.21,-21.91,;7.11,-20.65,;6.62,-19.19,;7.64,-18.04,;7.16,-16.58,;5.65,-16.27,;4.63,-17.42,;5.11,-18.88,;8.58,-21.12,)| Show InChI InChI=1S/C25H38N6O2/c1-30(2)25(32)18-7-11-31(12-8-18)20-5-3-19(4-6-20)29-24-22-21(17-9-13-33-14-10-17)15-26-23(22)27-16-28-24/h15-20H,3-14H2,1-2H3,(H2,26,27,28,29)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397139 (CHEMBL2172004) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H30N4O4/c1-16-13-27(17-6-7-20-21(12-17)32-15-31-20)10-11-28(16)23(30)19-5-3-2-4-18(19)22(29)26-24(14-25)8-9-24/h6-7,12,16,18-19H,2-5,8-11,13,15H2,1H3,(H,26,29)/t16-,18-,19-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397133 (CHEMBL2171999) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2n(C)nc(C)c2c1 |r| Show InChI InChI=1S/C26H34N6O2/c1-17-15-31(19-8-9-23-22(14-19)18(2)29-30(23)3)12-13-32(17)25(34)21-7-5-4-6-20(21)24(33)28-26(16-27)10-11-26/h8-9,14,17,20-21H,4-7,10-13,15H2,1-3H3,(H,28,33)/t17-,20-,21-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397121 (CHEMBL2171993) Show SMILES COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H32N4O4/c1-31-20-8-7-17(15-21(20)32-2)27-11-13-28(14-12-27)23(30)19-6-4-3-5-18(19)22(29)26-24(16-25)9-10-24/h7-8,15,18-19H,3-6,9-14H2,1-2H3,(H,26,29)/t18-,19-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair

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