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Compile Data Set for Download or QSAR

Found 422 hits with Last Name = 'morris' and Initial = 'jj'   
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))
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))
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))
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256830
PNG
(US9492453, 6)
Show SMILES C[C@H](NC(=O)C1(CN)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C21H25ClN6O/c1-14(15-2-4-16(22)5-3-15)27-20(29)21(12-23)7-10-28(11-8-21)19-17-6-9-24-18(17)25-13-26-19/h2-6,9,13-14H,7-8,10-12,23H2,1H3,(H,27,29)(H,24,25,26)/t14-/s2
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256843
PNG
(US9492453, 23)
Show SMILES NCC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C22H27ClN6O2/c23-16-3-1-15(2-4-16)18(6-12-30)28-21(31)22(13-24)7-10-29(11-8-22)20-17-5-9-25-19(17)26-14-27-20/h1-5,9,14,18,30H,6-8,10-13,24H2,(H,28,31)(H,25,26,27)/t18-/s2
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n/an/a 1.30n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427336
PNG
(CHEMBL2325992 | US9492453, 11)
Show SMILES CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
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
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))
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256844
PNG
(US9492453, 24)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Br)cc1 |r|
Show InChI InChI=1/C21H25BrN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/s2
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256828
PNG
(US9492453, 3A)
Show SMILES CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C21H25ClN6O/c1-2-17(14-3-5-15(22)6-4-14)27-20(29)21(23)8-11-28(12-9-21)19-16-7-10-24-18(16)25-13-26-19/h3-7,10,13,17H,2,8-9,11-12,23H2,1H3,(H,27,29)(H,24,25,26)/t17-/s2
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256833
PNG
(US9492453, 12)
Show SMILES NCC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCO)c1ccc(Cl)cc1
Show InChI InChI=1/C22H27ClN6O2/c23-16-3-1-15(2-4-16)18(6-12-30)28-21(31)22(13-24)7-10-29(11-8-22)20-17-5-9-25-19(17)26-14-27-20/h1-5,9,14,18,30H,6-8,10-13,24H2,(H,28,31)(H,25,26,27)
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427361
PNG
(CHEMBL2325727 | US9492453, 11A)
Show SMILES CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427335
PNG
(CHEMBL2325993 | US9492453, 25)
Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256835
PNG
(US9492453, 14)
Show SMILES NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1/C21H26ClN7O/c22-15-3-1-14(2-4-15)17(5-9-23)28-20(30)21(24)7-11-29(12-8-21)19-16-6-10-25-18(16)26-13-27-19/h1-4,6,10,13,17H,5,7-9,11-12,23-24H2,(H,28,30)(H,25,26,27)
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
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))
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))
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))
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/s2
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256861
PNG
(US9492453, 49A)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCN1CCCCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C27H36ClN7O/c28-21-8-6-20(7-9-21)23(5-4-16-34-14-2-1-3-15-34)33-26(36)27(29)11-17-35(18-12-27)25-22-10-13-30-24(22)31-19-32-25/h6-10,13,19,23H,1-5,11-12,14-18,29H2,(H,33,36)(H,30,31,32)/t23-/s2
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256865
PNG
(US9492453, 54)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCn1ccnc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C24H27ClN8O/c25-18-3-1-17(2-4-18)20(6-11-32-14-10-27-16-32)31-23(34)24(26)7-12-33(13-8-24)22-19-5-9-28-21(19)29-15-30-22/h1-5,9-10,14-16,20H,6-8,11-13,26H2,(H,31,34)(H,28,29,30)/t20-/s2
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427334
PNG
(CHEMBL2325994 | US9492453, 47)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-7-5-19(6-8-20)22(4-3-15-33-13-1-2-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-9-12-29-23(21)30-18-31-24/h5-9,12,18,22H,1-4,10-11,13-17,28H2,(H,32,35)(H,29,30,31)
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427360
PNG
(CHEMBL2325729 | US9492453, 52)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427347
PNG
(CHEMBL2325743 | US9492453, 2)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427331
PNG
(CHEMBL2325728 | US9492453, 55)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
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))
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
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256852
PNG
(US9492453, 35)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]cc(Br)c12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C20H22BrClN6O/c1-12(13-2-4-14(22)5-3-13)27-19(29)20(23)6-8-28(9-7-20)18-16-15(21)10-24-17(16)25-11-26-18/h2-5,10-12H,6-9,23H2,1H3,(H,27,29)(H,24,25,26)/t12-/s2
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
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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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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256834
PNG
(US9492453, 13)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCO)c1ccc(Cl)cc1
Show InChI InChI=1/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256832
PNG
(US9492453, 10)
Show SMILES CC(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1/C23H28ClN7O2/c1-15(32)26-11-7-19(16-2-4-17(24)5-3-16)30-22(33)23(25)8-12-31(13-9-23)21-18-6-10-27-20(18)28-14-29-21/h2-6,10,14,19H,7-9,11-13,25H2,1H3,(H,26,32)(H,30,33)(H,27,28,29)
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AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256862
PNG
(US9492453, 50)
Show SMILES CN1CCN(CC[C@H](NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1/C26H35ClN8O/c1-33-14-16-34(17-15-33)11-7-22(19-2-4-20(27)5-3-19)32-25(36)26(28)8-12-35(13-9-26)24-21-6-10-29-23(21)30-18-31-24/h2-6,10,18,22H,7-9,11-17,28H2,1H3,(H,32,36)(H,29,30,31)/t22-/s2
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n/an/a 4.30n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256847
PNG
(US9492453, 28)
Show SMILES CNCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1/C22H28ClN7O/c1-25-10-7-18(15-2-4-16(23)5-3-15)29-21(31)22(24)8-12-30(13-9-22)20-17-6-11-26-19(17)27-14-28-20/h2-6,11,14,18,25H,7-10,12-13,24H2,1H3,(H,29,31)(H,26,27,28)
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n/an/a 4.5n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256831
PNG
(US9492453, 7A)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCCO)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C22H27ClN6O2/c23-16-5-3-15(4-6-16)18(2-1-13-30)28-21(31)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-14-27-20/h3-7,10,14,18,30H,1-2,8-9,11-13,24H2,(H,28,31)(H,25,26,27)/t18-/s2
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n/an/a 4.5n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427332
PNG
(CHEMBL2325996 | US9492453, 49)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c28-21-8-6-20(7-9-21)23(5-4-16-34-14-2-1-3-15-34)33-26(36)27(29)11-17-35(18-12-27)25-22-10-13-30-24(22)31-19-32-25/h6-10,13,19,23H,1-5,11-12,14-18,29H2,(H,33,36)(H,30,31,32)
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n/an/a 5n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427345
PNG
(CHEMBL2325983 | US9492453, 4)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN6O/c23-16-5-3-15(4-6-16)18(14-1-2-14)28-21(30)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-13-27-20/h3-7,10,13-14,18H,1-2,8-9,11-12,24H2,(H,28,30)(H,25,26,27)
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n/an/a 5n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
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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n/an/a 5n/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
3D
3D Structure (docked)
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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n/an/a 5n/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
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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n/an/a 5n/an/an/an/an/an/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
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256855
PNG
(US9492453, 38)
Show SMILES CC(C)(O)C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C23H29ClN6O2/c1-22(2,32)13-18(15-3-5-16(24)6-4-15)29-21(31)23(25)8-11-30(12-9-23)20-17-7-10-26-19(17)27-14-28-20/h3-7,10,14,18,32H,8-9,11-13,25H2,1-2H3,(H,29,31)(H,26,27,28)/t18-/s2
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n/an/a 5.40n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427333
PNG
(CHEMBL2325995 | US9492453, 48)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O2/c27-20-5-3-19(4-6-20)22(2-1-11-33-14-16-36-17-15-33)32-25(35)26(28)8-12-34(13-9-26)24-21-7-10-29-23(21)30-18-31-24/h3-7,10,18,22H,1-2,8-9,11-17,28H2,(H,32,35)(H,29,30,31)
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n/an/a 5.60n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256845
PNG
(US9492453, 26)
Show SMILES CCN(CC)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C25H34ClN7O/c1-3-32(4-2)14-10-21(18-5-7-19(26)8-6-18)31-24(34)25(27)11-15-33(16-12-25)23-20-9-13-28-22(20)29-17-30-23/h5-9,13,17,21H,3-4,10-12,14-16,27H2,1-2H3,(H,31,34)(H,28,29,30)/t21-/s2
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n/an/a 5.60n/an/an/an/a7.525



AstraZeneca AB

US Patent


Assay Description
This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...


US Patent US9492453 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M83
More data for this
Ligand-Target Pair
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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n/an/a 6n/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))
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
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