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Compile Data Set for Download or QSAR

Found 713 hits with Last Name = 'hudson' and Initial = 'ja'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin K


(Canis familiaris)
BDBM50395256
PNG
(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
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n/an/a 0.800n/an/an/an/an/an/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))
BDBM50395236
PNG
(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
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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
PNG
(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
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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))
BDBM50395254
PNG
(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
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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
PNG
(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
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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))
BDBM50395238
PNG
(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
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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
PNG
(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
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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))
BDBM50246779
PNG
(CHEMBL4080574)
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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246761
PNG
(CHEMBL4102501)
PDB
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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246762
PNG
(CHEMBL4078222)
PDB
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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM50395244
PNG
(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
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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
PNG
(CHEMBL4067181)
PDB
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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246809
PNG
(CHEMBL4104802)
PDB
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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246810
PNG
(CHEMBL4078625)
PDB
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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50395243
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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))
BDBM50395234
PNG
(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
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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
PNG
(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
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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
PNG
(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
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n/an/a 4n/an/an/an/an/an/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
PNG
(CHEMBL4087063)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50397142
PNG
(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
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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
PNG
(CHEMBL4064608)
PDB
MMDB

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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50395253
PNG
(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
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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
PNG
(CHEMBL4064608)
PDB
MMDB

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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246814
PNG
(CHEMBL4085735)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246811
PNG
(CHEMBL4063689)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50395240
PNG
(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
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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
PNG
(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)
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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
3D Structure (docked)
Cathepsin K


(Homo sapiens (Human))
BDBM50397137
PNG
(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
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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
PNG
(CHEMBL4064608)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50246769
PNG
(CHEMBL4064608)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19855
PNG
(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)
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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
3D Structure (docked)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246789
PNG
(CHEMBL4097418)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246813
PNG
(CHEMBL4089379)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM50397141
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(CHEMBL4081502)
PDB
MMDB

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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50397134
PNG
(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
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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
PNG
(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
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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
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50246769
PNG
(CHEMBL4064608)
PDB
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50246772
PNG
(CHEMBL4086115)
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AstraZeneca

Curated by ChEMBL




J Med Chem 60: 10071-10091 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01290
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50397139
PNG
(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
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n/an/a 9n/an/an/an/an/an/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
PNG
(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
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n/an/a 9n/an/an/an/an/an/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
PNG
(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
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n/an/a 9n/an/an/an/an/an/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))
BDBM50395252
PNG
(CHEMBL2164685)
Show SMILES Fc1cccc2[nH]c3CCN(Cc3c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H25FN4O2/c24-17-6-3-7-19-20(17)16-12-28(11-8-18(16)26-19)22(30)15-5-2-1-4-14(15)21(29)27-23(13-25)9-10-23/h3,6-7,14-15,26H,1-2,4-5,8-12H2,(H,27,29)/t14-,15-/m1/s1
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n/an/a 10n/an/an/an/an/an/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
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