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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 473.5
BDBM264237
Wt: 503.5
BDBM264177
Wt: 503.5
BDBM264205
Wt: 503.5
BDBM264207
Wt: 503.5
BDBM264208
Wt: 503.5
BDBM264209
Wt: 489.5
BDBM264212
Wt: 503.5
BDBM264213
Wt: 503.5
BDBM264214
Wt: 487.5
BDBM264221
Wt: 487.5
BDBM264222
Wt: 503.5
BDBM264227
Wt: 503.5
BDBM264228
Wt: 501.6
BDBM264235
Wt: 491.5
BDBM264236
Displayed 1 to 15 (of 69 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 45 hits in this display   
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
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264221
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C
Show InChI InChI=1S/C26H33N9O/c1-16-13-28-26(30-22-15-34(5)32-17(22)2)31-23(16)20-14-27-24-19(20)7-6-8-21(24)29-25(36)18(3)35-11-9-33(4)10-12-35/h6-8,13-15,18,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t18-/m1/s1
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UniChem
n/an/a<5n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264214
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-13-28-26(30-21-15-34(4)32-25(21)37-5)31-22(16)19-14-27-23-18(19)7-6-8-20(23)29-24(36)17(2)35-11-9-33(3)10-12-35/h6-8,13-15,17,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t17-/m1/s1
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n/an/a 10n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264227
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-22(35-13-11-33(2)12-14-35)24(36)29-20-8-6-7-17-18(15-28-23(17)20)19-9-10-27-26(30-19)31-21-16-34(3)32-25(21)37-4/h6-10,15-16,22,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m1/s1
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n/an/a 13n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264235
PNG
((2R)-N-(3-{2-[(3- ethyl-1-methyl-1H- pyrazol-4-yl)...)
Show SMILES CCc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C27H35N9O/c1-6-21-23(16-35(5)33-21)31-27-29-14-17(2)24(32-27)20-15-28-25-19(20)8-7-9-22(25)30-26(37)18(3)36-12-10-34(4)11-13-36/h7-9,14-16,18,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t18-/m1/s1
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n/an/a 27n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264236
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C25H30FN9O/c1-15-21(14-34(4)32-15)30-25-28-13-19(26)22(31-25)18-12-27-23-17(18)6-5-7-20(23)29-24(36)16(2)35-10-8-33(3)9-11-35/h5-7,12-14,16,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t16-/m1/s1
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n/an/a 28n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264237
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2C)n1
Show InChI InChI=1S/C25H31N9O/c1-16-22(15-33(4)31-16)30-25-26-9-8-20(29-25)19-14-27-23-18(19)6-5-7-21(23)28-24(35)17(2)34-12-10-32(3)11-13-34/h5-9,14-15,17,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t17-/m1/s1
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n/an/a 69n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264205
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-35(12-11-33(16)3)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17+/m0/s1
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n/an/a 69n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H31N9O2/c1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4/h5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t16-/m1/s1
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n/an/a 73n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
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n/an/a 97n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
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n/an/a 106n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264222
PNG
((2S)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C
Show InChI InChI=1S/C26H33N9O/c1-16-13-28-26(30-22-15-34(5)32-17(22)2)31-23(16)20-14-27-24-19(20)7-6-8-21(24)29-25(36)18(3)35-11-9-33(4)10-12-35/h6-8,13-15,18,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t18-/m0/s1
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n/an/a 106n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264213
PNG
((2S)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-13-28-26(30-21-15-34(4)32-25(21)37-5)31-22(16)19-14-27-23-18(19)7-6-8-20(23)29-24(36)17(2)35-11-9-33(3)10-12-35/h6-8,13-15,17,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t17-/m0/s1
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n/an/a 272n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264209
PNG
((2R)-2-[(3R)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-35(12-11-33(16)3)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
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n/an/a 304n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264177
PNG
((2R)-2-[(2S)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17+/m0/s1
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n/an/a 847n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264228
PNG
((2S)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-22(35-13-11-33(2)12-14-35)24(36)29-20-8-6-7-17-18(15-28-23(17)20)19-9-10-27-26(30-19)31-21-16-34(3)32-25(21)37-4/h6-10,15-16,22,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m0/s1
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n/an/a 1.21E+3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264221
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C
Show InChI InChI=1S/C26H33N9O/c1-16-13-28-26(30-22-15-34(5)32-17(22)2)31-23(16)20-14-27-24-19(20)7-6-8-21(24)29-25(36)18(3)35-11-9-33(4)10-12-35/h6-8,13-15,18,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t18-/m1/s1
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n/an/a 2.58E+3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264235
PNG
((2R)-N-(3-{2-[(3- ethyl-1-methyl-1H- pyrazol-4-yl)...)
Show SMILES CCc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C27H35N9O/c1-6-21-23(16-35(5)33-21)31-27-29-14-17(2)24(32-27)20-15-28-25-19(20)8-7-9-22(25)30-26(37)18(3)36-12-10-34(4)11-13-36/h7-9,14-16,18,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t18-/m1/s1
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n/an/a 4.22E+3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264236
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C25H30FN9O/c1-15-21(14-34(4)32-15)30-25-28-13-19(26)22(31-25)18-12-27-23-17(18)6-5-7-20(23)29-24(36)16(2)35-10-8-33(3)9-11-35/h5-7,12-14,16,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t16-/m1/s1
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n/an/a 5.15E+3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264214
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-13-28-26(30-21-15-34(4)32-25(21)37-5)31-22(16)19-14-27-23-18(19)7-6-8-20(23)29-24(36)17(2)35-11-9-33(3)10-12-35/h6-8,13-15,17,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t17-/m1/s1
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n/an/a 5.37E+3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264227
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-22(35-13-11-33(2)12-14-35)24(36)29-20-8-6-7-17-18(15-28-23(17)20)19-9-10-27-26(30-19)31-21-16-34(3)32-25(21)37-4/h6-10,15-16,22,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m1/s1
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n/an/a 6.95E+3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264237
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2C)n1
Show InChI InChI=1S/C25H31N9O/c1-16-22(15-33(4)31-16)30-25-26-9-8-20(29-25)19-14-27-23-18(19)6-5-7-21(23)28-24(35)17(2)34-12-10-32(3)11-13-34/h5-9,14-15,17,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t17-/m1/s1
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n/an/a 9.26E+3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
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n/an/a 1.18E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H31N9O2/c1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4/h5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t16-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264205
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-35(12-11-33(16)3)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17+/m0/s1
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n/an/a 1.67E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264222
PNG
((2S)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C
Show InChI InChI=1S/C26H33N9O/c1-16-13-28-26(30-22-15-34(5)32-17(22)2)31-23(16)20-14-27-24-19(20)7-6-8-21(24)29-25(36)18(3)35-11-9-33(4)10-12-35/h6-8,13-15,18,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t18-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264209
PNG
((2R)-2-[(3R)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-35(12-11-33(16)3)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264222
PNG
((2S)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C
Show InChI InChI=1S/C26H33N9O/c1-16-13-28-26(30-22-15-34(5)32-17(22)2)31-23(16)20-14-27-24-19(20)7-6-8-21(24)29-25(36)18(3)35-11-9-33(4)10-12-35/h6-8,13-15,18,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t18-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264227
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-22(35-13-11-33(2)12-14-35)24(36)29-20-8-6-7-17-18(15-28-23(17)20)19-9-10-27-26(30-19)31-21-16-34(3)32-25(21)37-4/h6-10,15-16,22,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m1/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264228
PNG
((2S)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-22(35-13-11-33(2)12-14-35)24(36)29-20-8-6-7-17-18(15-28-23(17)20)19-9-10-27-26(30-19)31-21-16-34(3)32-25(21)37-4/h6-10,15-16,22,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264228
PNG
((2S)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-22(35-13-11-33(2)12-14-35)24(36)29-20-8-6-7-17-18(15-28-23(17)20)19-9-10-27-26(30-19)31-21-16-34(3)32-25(21)37-4/h6-10,15-16,22,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264205
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-35(12-11-33(16)3)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17+/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264235
PNG
((2R)-N-(3-{2-[(3- ethyl-1-methyl-1H- pyrazol-4-yl)...)
Show SMILES CCc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C27H35N9O/c1-6-21-23(16-35(5)33-21)31-27-29-14-17(2)24(32-27)20-15-28-25-19(20)8-7-9-22(25)30-26(37)18(3)36-12-10-34(4)11-13-36/h7-9,14-16,18,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t18-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264177
PNG
((2R)-2-[(2S)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17+/m0/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264236
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C25H30FN9O/c1-15-21(14-34(4)32-15)30-25-28-13-19(26)22(31-25)18-12-27-23-17(18)6-5-7-20(23)29-24(36)16(2)35-10-8-33(3)9-11-35/h5-7,12-14,16,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t16-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264177
PNG
((2R)-2-[(2S)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17+/m0/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264237
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2C)n1
Show InChI InChI=1S/C25H31N9O/c1-16-22(15-33(4)31-16)30-25-26-9-8-20(29-25)19-14-27-23-18(19)6-5-7-21(23)28-24(35)17(2)34-12-10-32(3)11-13-34/h5-9,14-15,17,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264221
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1C
Show InChI InChI=1S/C26H33N9O/c1-16-13-28-26(30-22-15-34(5)32-17(22)2)31-23(16)20-14-27-24-19(20)7-6-8-21(24)29-25(36)18(3)35-11-9-33(4)10-12-35/h6-8,13-15,18,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264209
PNG
((2R)-2-[(3R)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@H](C)C3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-35(12-11-33(16)3)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264214
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-13-28-26(30-21-15-34(4)32-25(21)37-5)31-22(16)19-14-27-23-18(19)7-6-8-20(23)29-24(36)17(2)35-11-9-33(3)10-12-35/h6-8,13-15,17,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264213
PNG
((2S)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-13-28-26(30-21-15-34(4)32-25(21)37-5)31-22(16)19-14-27-23-18(19)7-6-8-20(23)29-24(36)17(2)35-11-9-33(3)10-12-35/h6-8,13-15,17,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t17-/m0/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264213
PNG
((2S)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-13-28-26(30-21-15-34(4)32-25(21)37-5)31-22(16)19-14-27-23-18(19)7-6-8-20(23)29-24(36)17(2)35-11-9-33(3)10-12-35/h6-8,13-15,17,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t17-/m0/s1
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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H31N9O2/c1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4/h5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t16-/m1/s1
PDB

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n/an/a>3.00E+4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair