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Compile Data Set for Download or QSAR

Found 417 hits with Last Name = 'chuaqui' and Initial = 'ce'   
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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264233
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<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
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264231
PNG
((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F
Show InChI InChI=1S/C26H32FN9O2/c1-5-21(36-11-9-34(2)10-12-36)24(37)30-19-8-6-7-16-17(13-28-23(16)19)22-18(27)14-29-26(32-22)31-20-15-35(3)33-25(20)38-4/h6-8,13-15,21,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t21-/m1/s1
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n/an/a<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
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264233
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<3n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264225
PNG
((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O3/c1-17-13-29-27(31-21-15-35(3)33-26(21)39-5)32-23(17)19-14-28-24-18(19)7-6-8-20(24)30-25(37)22(16-38-4)36-11-9-34(2)10-12-36/h6-8,13-15,22,28H,9-12,16H2,1-5H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<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
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264231
PNG
((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F
Show InChI InChI=1S/C26H32FN9O2/c1-5-21(36-11-9-34(2)10-12-36)24(37)30-19-8-6-7-16-17(13-28-23(16)19)22-18(27)14-29-26(32-22)31-20-15-35(3)33-25(20)38-4/h6-8,13-15,21,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t21-/m1/s1
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n/an/a<3n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264225
PNG
((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O3/c1-17-13-29-27(31-21-15-35(3)33-26(21)39-5)32-23(17)19-14-28-24-18(19)7-6-8-20(24)30-25(37)22(16-38-4)36-11-9-34(2)10-12-36/h6-8,13-15,22,28H,9-12,16H2,1-5H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<3n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264229
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C26H32FN9O/c1-5-22(36-11-9-34(3)10-12-36)25(37)30-20-8-6-7-17-18(13-28-24(17)20)23-19(27)14-29-26(32-23)31-21-15-35(4)33-16(21)2/h6-8,13-15,22,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<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
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264224
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)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-22(36-12-10-34(3)11-13-36)25(37)30-20-9-7-8-18-19(15-28-24(18)20)23-17(2)14-29-27(32-23)31-21-16-35(4)33-26(21)38-5/h7-9,14-16,22,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<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
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264240
PNG
((2R)-3-Methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O3/c1-33-10-12-35(13-11-33)22(16-37-3)24(36)29-20-7-5-6-17-18(14-28-23(17)20)19-8-9-27-26(30-19)31-21-15-34(2)32-25(21)38-4/h5-9,14-15,22,28H,10-13,16H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m1/s1
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n/an/a 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
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264229
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C26H32FN9O/c1-5-22(36-11-9-34(3)10-12-36)25(37)30-20-8-6-7-17-18(13-28-24(17)20)23-19(27)14-29-26(32-23)31-21-15-35(4)33-16(21)2/h6-8,13-15,22,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<4n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264224
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)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-22(36-12-10-34(3)11-13-36)25(37)30-20-9-7-8-18-19(15-28-24(18)20)23-17(2)14-29-27(32-23)31-21-16-35(4)33-26(21)38-5/h7-9,14-16,22,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
PDB

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



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264240
PNG
((2R)-3-Methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O3/c1-33-10-12-35(13-11-33)22(16-37-3)24(36)29-20-7-5-6-17-18(14-28-23(17)20)19-8-9-27-26(30-19)31-21-15-34(2)32-25(21)38-4/h5-9,14-15,22,28H,10-13,16H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m1/s1
PDB

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



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 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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n/an/a<5n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM313401
PNG
((2R)-N-(3-{2-[(3-ethoxy-1-methyl-1H- pyrazol-4-yl)...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C28H37N9O3/c1-6-40-27-22(16-36(4)34-27)32-28-30-14-18(2)24(33-28)20-15-29-25-19(20)8-7-9-21(25)31-26(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,29H,6,10-13,17H2,1-5H3,(H,31,38)(H,30,32,33)/t23-/m1/s1
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n/an/a<5n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 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
PDB

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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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264244
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C28H37N9O3/c1-6-40-28-22(16-36(4)34-28)31-24-15-29-18(2)25(33-24)20-14-30-26-19(20)8-7-9-21(26)32-27(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,30H,6,10-13,17H2,1-5H3,(H,31,33)(H,32,38)/t23-/m1/s1
PDB

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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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264242
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](CC)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C28H37N9O2/c1-6-23(37-13-11-35(4)12-14-37)26(38)31-21-10-8-9-19-20(16-29-25(19)21)24-18(3)15-30-28(33-24)32-22-17-36(5)34-27(22)39-7-2/h8-10,15-17,23,29H,6-7,11-14H2,1-5H3,(H,31,38)(H,30,32,33)/t23-/m1/s1
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n/an/a<6n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264242
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](CC)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C28H37N9O2/c1-6-23(37-13-11-35(4)12-14-37)26(38)31-21-10-8-9-19-20(16-29-25(19)21)24-18(3)15-30-28(33-24)32-22-17-36(5)34-27(22)39-7-2/h8-10,15-17,23,29H,6-7,11-14H2,1-5H3,(H,31,38)(H,30,32,33)/t23-/m1/s1
PDB

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n/an/a<6n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264194
PNG
((2R)-2-[4-(2- hydroxyethyl)piperazin- 1-yl]-N-(3-{...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12
Show InChI InChI=1S/C27H35N9O3/c1-17-14-29-27(31-22-16-34(3)33-26(22)39-4)32-23(17)20-15-28-24-19(20)6-5-7-21(24)30-25(38)18(2)36-10-8-35(9-11-36)12-13-37/h5-7,14-16,18,28,37H,8-13H2,1-4H3,(H,30,38)(H,29,31,32)/t18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264216
PNG
((2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H30ClN9O2/c1-15(35-10-8-33(2)9-11-35)23(36)29-19-7-5-6-16-17(12-27-22(16)19)21-18(26)13-28-25(31-21)30-20-14-34(3)32-24(20)37-4/h5-7,12-15,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t15-/m1/s1
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n/an/a 7n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264194
PNG
((2R)-2-[4-(2- hydroxyethyl)piperazin- 1-yl]-N-(3-{...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12
Show InChI InChI=1S/C27H35N9O3/c1-17-14-29-27(31-22-16-34(3)33-26(22)39-4)32-23(17)20-15-28-24-19(20)6-5-7-21(24)30-25(38)18(2)36-10-8-35(9-11-36)12-13-37/h5-7,14-16,18,28,37H,8-13H2,1-4H3,(H,30,38)(H,29,31,32)/t18-/m1/s1
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n/an/a 7n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264216
PNG
((2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H30ClN9O2/c1-15(35-10-8-33(2)9-11-35)23(36)29-19-7-5-6-16-17(12-27-22(16)19)21-18(26)13-28-25(31-21)30-20-14-34(3)32-24(20)37-4/h5-7,12-15,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t15-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264217
PNG
((2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyr...)
Show SMILES COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H30BrN9O2/c1-15(35-10-8-33(2)9-11-35)23(36)29-19-7-5-6-16-17(12-27-22(16)19)21-18(26)13-28-25(31-21)30-20-14-34(3)32-24(20)37-4/h5-7,12-15,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t15-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264217
PNG
((2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyr...)
Show SMILES COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H30BrN9O2/c1-15(35-10-8-33(2)9-11-35)23(36)29-19-7-5-6-16-17(12-27-22(16)19)21-18(26)13-28-25(31-21)30-20-14-34(3)32-24(20)37-4/h5-7,12-15,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t15-/m1/s1
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n/an/a 8n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264193
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-16-12-29-27(31-22-15-35(5)33-26(22)38-6)32-23(16)20-13-28-24-19(20)8-7-9-21(24)30-25(37)18(3)36-11-10-34(4)17(2)14-36/h7-9,12-13,15,17-18,28H,10-11,14H2,1-6H3,(H,30,37)(H,29,31,32)/t17-,18+/m0/s1
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n/an/a 9n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264193
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-16-12-29-27(31-22-15-35(5)33-26(22)38-6)32-23(16)20-13-28-24-19(20)8-7-9-21(24)30-25(37)18(3)36-11-10-34(4)17(2)14-36/h7-9,12-13,15,17-18,28H,10-11,14H2,1-6H3,(H,30,37)(H,29,31,32)/t17-,18+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 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 (aa 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/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264218
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-16-12-29-27(31-22-15-35(5)33-26(22)38-6)32-23(16)20-13-28-24-19(20)8-7-9-21(24)30-25(37)18(3)36-11-10-34(4)14-17(36)2/h7-9,12-13,15,17-18,28H,10-11,14H2,1-6H3,(H,30,37)(H,29,31,32)/t17-,18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 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/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264218
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-16-12-29-27(31-22-15-35(5)33-26(22)38-6)32-23(16)20-13-28-24-19(20)8-7-9-21(24)30-25(37)18(3)36-11-10-34(4)14-17(36)2/h7-9,12-13,15,17-18,28H,10-11,14H2,1-6H3,(H,30,37)(H,29,31,32)/t17-,18-/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 (aa 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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264210
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C28H37N9O2/c1-7-39-27-23(16-36(6)34-27)32-28-30-13-17(2)24(33-28)21-14-29-25-20(21)9-8-10-22(25)31-26(38)19(4)37-12-11-35(5)18(3)15-37/h8-10,13-14,16,18-19,29H,7,11-12,15H2,1-6H3,(H,31,38)(H,30,32,33)/t18-,19+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264210
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C28H37N9O2/c1-7-39-27-23(16-36(6)34-27)32-28-30-13-17(2)24(33-28)21-14-29-25-20(21)9-8-10-22(25)31-26(38)19(4)37-12-11-35(5)18(3)15-37/h8-10,13-14,16,18-19,29H,7,11-12,15H2,1-6H3,(H,31,38)(H,30,32,33)/t18-,19+/m0/s1
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n/an/a 15n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264238
PNG
((2R)-N-(3-{2-[(1- ethyl-3-methoxy-1H- pyrazol-4-yl...)
Show SMILES CCn1cc(Nc2ncc(C)c(n2)-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)c(OC)n1
Show InChI InChI=1S/C27H35N9O2/c1-6-36-16-22(26(33-36)38-5)31-27-29-14-17(2)23(32-27)20-15-28-24-19(20)8-7-9-21(24)30-25(37)18(3)35-12-10-34(4)11-13-35/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 17n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264238
PNG
((2R)-N-(3-{2-[(1- ethyl-3-methoxy-1H- pyrazol-4-yl...)
Show SMILES CCn1cc(Nc2ncc(C)c(n2)-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)c(OC)n1
Show InChI InChI=1S/C27H35N9O2/c1-6-36-16-22(26(33-36)38-5)31-27-29-14-17(2)23(32-27)20-15-28-24-19(20)8-7-9-21(24)30-25(37)18(3)35-12-10-34(4)11-13-35/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 17n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264195
PNG
((2R)-2-(4-ethylpiperazin- 1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-35-10-12-36(13-11-35)18(3)25(37)30-21-9-7-8-19-20(15-28-24(19)21)23-17(2)14-29-27(32-23)31-22-16-34(4)33-26(22)38-5/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 19n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264195
PNG
((2R)-2-(4-ethylpiperazin- 1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-35-10-12-36(13-11-35)18(3)25(37)30-21-9-7-8-19-20(15-28-24(19)21)23-17(2)14-29-27(32-23)31-22-16-34(4)33-26(22)38-5/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 19n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264204
PNG
((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H30FN9O2/c1-15(35-10-8-33(2)9-11-35)23(36)29-19-7-5-6-16-17(12-27-22(16)19)21-18(26)13-28-25(31-21)30-20-14-34(3)32-24(20)37-4/h5-7,12-15,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t15-/m1/s1
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n/an/a 19n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264204
PNG
((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C25H30FN9O2/c1-15(35-10-8-33(2)9-11-35)23(36)29-19-7-5-6-16-17(12-27-22(16)19)21-18(26)13-28-25(31-21)30-20-14-34(3)32-24(20)37-4/h5-7,12-15,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t15-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264215
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-6-38-26-22(16-35(5)33-26)31-27-29-14-17(2)23(32-27)20-15-28-24-19(20)8-7-9-21(24)30-25(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 20n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264215
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-6-38-26-22(16-35(5)33-26)31-27-29-14-17(2)23(32-27)20-15-28-24-19(20)8-7-9-21(24)30-25(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 20n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264181
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{5...)
Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-15-13-36(10-9-34(15)3)16(2)24(37)30-20-8-6-7-17-18(11-28-23(17)20)22-19(27)12-29-26(32-22)31-21-14-35(4)33-25(21)38-5/h6-8,11-12,14-16,28H,9-10,13H2,1-5H3,(H,30,37)(H,29,31,32)/t15-,16+/m0/s1
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n/an/a 24n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264220
PNG
((2R)-N-(3-{5-chloro- 2-[(3-ethoxy-1- methyl-1H-pyr...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H32ClN9O2/c1-5-38-25-21(15-35(4)33-25)31-26-29-14-19(27)22(32-26)18-13-28-23-17(18)7-6-8-20(23)30-24(37)16(2)36-11-9-34(3)10-12-36/h6-8,13-16,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t16-/m1/s1
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n/an/a 24n/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 (aa 866-1154)


(Homo sapiens (Human))
BDBM264181
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{5...)
Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-15-13-36(10-9-34(15)3)16(2)24(37)30-20-8-6-7-17-18(11-28-23(17)20)22-19(27)12-29-26(32-22)31-21-14-35(4)33-25(21)38-5/h6-8,11-12,14-16,28H,9-10,13H2,1-5H3,(H,30,37)(H,29,31,32)/t15-,16+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264220
PNG
((2R)-N-(3-{5-chloro- 2-[(3-ethoxy-1- methyl-1H-pyr...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H32ClN9O2/c1-5-38-25-21(15-35(4)33-25)31-26-29-14-19(27)22(32-26)18-13-28-23-17(18)7-6-8-20(23)30-24(37)16(2)36-11-9-34(3)10-12-36/h6-8,13-16,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t16-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 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 (aa 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/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 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/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)


Article DOI: 10.1021/jm0506625
More data for this
Ligand-Target Pair
JAK1 (aa 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
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