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Compile Data Set for Download or QSAR

Found 890 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
Tyrosine-protein kinase JAK1 [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 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
PDB

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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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n/an/a<4n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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n/an/a<4n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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n/an/a 4n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50527916
PNG
(CHEMBL4446962)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NCc3ccc(C)nc3C)cccc12
Show InChI InChI=1S/C26H28N8O/c1-15-11-29-26(31-22-14-34(4)33-25(22)35-5)32-23(15)20-13-28-24-19(20)7-6-8-21(24)27-12-18-10-9-16(2)30-17(18)3/h6-11,13-14,27-28H,12H2,1-5H3,(H,29,31,32)
PDB

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KEGG

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
BindingDB Entry DOI: 10.7270/Q21V5JDF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase 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 |r|
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Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase 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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase 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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase 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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(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 |r|
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
BindingDB Entry DOI: 10.7270/Q21V5JDF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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 acid...


US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [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 |r|
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
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Ligand-Target Pair
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