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Compile Data Set for Download or QSAR

Found 371 hits with Last Name = 'huszar' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a<2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK2


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353788
PNG
(CHEMBL1829433)
Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha2


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446990
PNG
(CHEMBL3116055)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2[nH]ccc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(14-19-5-10(17)6-20-14)22-16-23-11-3-4-18-13(11)15(25-16)24-12-7-26(2)8-21-12/h3-9,18H,1-2H3,(H2,22,23,24,25)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak1 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446985
PNG
(CHEMBL3116063)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2ccc(Cl)nc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C17H15ClFN9/c1-9(14-20-5-10(19)6-21-14)23-17-26-15-11(3-4-12(18)24-15)16(27-17)25-13-7-28(2)8-22-13/h3-9H,1-2H3,(H2,23,24,25,26,27)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353799
PNG
(CHEMBL1829424)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353767
PNG
(CHEMBL1829430)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50335201
PNG
(5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1
Show InChI InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of TrkA


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335202
PNG
(5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1
Show InChI InChI=1S/C14H14ClFN8O/c1-7(12-17-4-8(16)5-18-12)20-14-19-6-9(15)13(22-14)21-10-3-11(25-2)24-23-10/h3-7H,1-2H3,(H3,19,20,21,22,23,24)/t7-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335203
PNG
(CHEMBL1650698 | N4-(5-Cyclopropyl-1H-pyrazol-3-yl)...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(n[nH]2)C2CC2)n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16F2N8/c1-8(14-19-5-10(17)6-20-14)22-16-21-7-11(18)15(24-16)23-13-4-12(25-26-13)9-2-3-9/h4-9H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t8-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446995
PNG
(CHEMBL3116058)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccccc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C18H17FN8/c1-11(16-20-7-12(19)8-21-16)23-18-24-14-6-4-3-5-13(14)17(26-18)25-15-9-27(2)10-22-15/h3-11H,1-2H3,(H2,23,24,25,26)/t11-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288372
PNG
(CHEMBL4173429)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCNCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C23H28N6O3S/c1-16-14-25-23(28-22(16)26-18-5-3-4-17(10-18)15-30)27-19-11-20(29-8-6-24-7-9-29)13-21(12-19)33(2,31)32/h3-5,10-14,24,30H,6-9,15H2,1-2H3,(H2,25,26,27,28)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288378
PNG
(CHEMBL4162065)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
GRAC: human IMPase 1 inhibitor


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50288437
PNG
(CHEMBL4165758)
Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
GRAC: human PDE2A selective inhibitor


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288438
PNG
(CHEMBL4173676)
Show SMILES CN1CCN(CC1)c1cc(Nc2nccc(Nc3ccc(F)c(Cl)c3F)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23ClF2N6O2S/c1-30-7-9-31(10-8-30)15-11-14(12-16(13-15)34(2,32)33)27-22-26-6-5-19(29-22)28-18-4-3-17(24)20(23)21(18)25/h3-6,11-13H,7-10H2,1-2H3,(H2,26,27,28,29)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288511
PNG
(CHEMBL4171692)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288439
PNG
(CHEMBL4163817)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Cl)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C23H27ClN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288443
PNG
(CHEMBL4166989)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O3S/c1-16-12-26-25(29-24(16)27-18-6-4-5-17(7-18)15-32)28-19-8-20(11-23(9-19)35(3,33)34)31-14-21-10-22(31)13-30(21)2/h4-9,11-12,21-22,32H,10,13-15H2,1-3H3,(H2,26,27,28,29)/t21-,22-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335212
PNG
(CHEMBL1650725 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...)
Show SMILES C[C@H](Nc1ncc(C)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1
Show InChI InChI=1S/C15H17FN8/c1-8-5-19-15(20-10(3)14-17-6-11(16)7-18-14)22-13(8)21-12-4-9(2)23-24-12/h4-7,10H,1-3H3,(H3,19,20,21,22,23,24)/t10-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335205
PNG
(5-bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Br)[nH]n1
Show InChI InChI=1S/C14H14BrFN8O/c1-7(12-17-4-8(16)5-18-12)20-14-19-6-9(15)13(22-14)21-10-3-11(25-2)24-23-10/h3-7H,1-2H3,(H3,19,20,21,22,23,24)/t7-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335209
PNG
(5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)[nH]n1
Show InChI InChI=1S/C18H21F2N9O2/c1-10(15-21-8-11(19)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(20)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335210
PNG
(5-chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2Cl)[nH]n1
Show InChI InChI=1S/C18H21ClFN9O2/c1-10(15-21-8-11(20)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(19)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446989
PNG
(CHEMBL3116056)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2scc(C)c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C17H17FN8S/c1-9-7-27-14-13(9)24-17(22-10(2)15-19-4-11(18)5-20-15)25-16(14)23-12-6-26(3)8-21-12/h4-8,10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288437
PNG
(CHEMBL4165758)
Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
GRAC: human H3 selective antagonist


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50135125
PNG
(CHEMBL3747305)
Show SMILES COc1ccc(cc1OC)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
Show InChI InChI=1S/C20H24ClN5O2/c1-27-15-4-3-13(9-16(15)28-2)19-25-18-17(14(21)11-24-20(18)26-19)23-10-12-5-7-22-8-6-12/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H2,23,24,25,26)
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n/an/a 4.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused human recombinant JAK1 (866 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH2 as subs...


Bioorg Med Chem Lett 26: 60-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.031
BindingDB Entry DOI: 10.7270/Q2Z60QWQ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353820
PNG
(CHEMBL1829432)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)25-29-23-19(3)30-35-24(23)27(34)32(25)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335211
PNG
(5-Fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1
Show InChI InChI=1S/C14H14F2N8/c1-7-3-11(24-23-7)21-13-10(16)6-19-14(22-13)20-8(2)12-17-4-9(15)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288442
PNG
(CHEMBL4173835)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H32N6O3S/c1-16-12-26-25(30-24(16)28-20-7-5-6-19(8-20)15-32)29-21-9-22(11-23(10-21)35(4,33)34)31-13-17(2)27-18(3)14-31/h5-12,17-18,27,32H,13-15H2,1-4H3,(H2,26,28,29,30)/t17-,18+
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288376
PNG
(CHEMBL4177188)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCN(CCO)CC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C25H32N6O4S/c1-18-16-26-25(29-24(18)27-20-5-3-4-19(12-20)17-33)28-21-13-22(15-23(14-21)36(2,34)35)31-8-6-30(7-9-31)10-11-32/h3-5,12-16,32-33H,6-11,17H2,1-2H3,(H2,26,27,28,29)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
GRAC: human p38a selective inhibitor


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353799
PNG
(CHEMBL1829424)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335209
PNG
(5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)[nH]n1
Show InChI InChI=1S/C18H21F2N9O2/c1-10(15-21-8-11(19)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(20)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50135127
PNG
(CHEMBL3746766)
Show SMILES COc1ccc(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)c(C)c1
Show InChI InChI=1S/C20H24ClN5O/c1-12-9-14(27-2)3-4-15(12)19-25-18-17(16(21)11-24-20(18)26-19)23-10-13-5-7-22-8-6-13/h3-4,9,11,13,22H,5-8,10H2,1-2H3,(H2,23,24,25,26)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused human recombinant JAK1 (866 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH2 as subs...


Bioorg Med Chem Lett 26: 60-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.031
BindingDB Entry DOI: 10.7270/Q2Z60QWQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335215
PNG
((S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(Cl)c(n1)N1CCOCC1)c1ncc(F)cn1
Show InChI InChI=1S/C18H21ClFN9O/c1-10-7-13(28-27-10)24-16-14(19)17(29-3-5-30-6-4-29)26-18(25-16)23-11(2)15-21-8-12(20)9-22-15/h7-9,11H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t11-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335206
PNG
(5-chloro-N4-[5-(dimethylamino)-1H-pyrazol-3-yl]-N2...)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)N(C)C)n1)c1ncc(F)cn1
Show InChI InChI=1S/C15H17ClFN9/c1-8(13-18-5-9(17)6-19-13)21-15-20-7-10(16)14(23-15)22-11-4-12(25-24-11)26(2)3/h4-8H,1-3H3,(H3,20,21,22,23,24,25)/t8-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353821
PNG
(CHEMBL1829246)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335214
PNG
(5-bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-...)
Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1
Show InChI InChI=1S/C14H14BrFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335208
PNG
(CHEMBL1650735 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...)
Show SMILES COc1cc(Nc2cc(nc(N[C@@H](C)c3ncc(F)cn3)n2)N2CCOCC2)[nH]n1
Show InChI InChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288512
PNG
(CHEMBL4163122)
Show SMILES CC(=O)N1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O4S/c1-17-15-26-25(29-24(17)27-20-6-4-5-19(11-20)16-32)28-21-12-22(14-23(13-21)36(3,34)35)31-9-7-30(8-10-31)18(2)33/h4-6,11-15,32H,7-10,16H2,1-3H3,(H2,26,27,28,29)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446983
PNG
(CHEMBL3116065)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C17H16FN9/c1-10(15-20-5-11(18)6-21-15)23-17-24-13-7-19-4-3-12(13)16(26-17)25-14-8-27(2)9-22-14/h3-10H,1-2H3,(H2,23,24,25,26)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 in mouse BA/F3 cells expressing TEL-Jak2 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288441
PNG
(CHEMBL4166565)
Show SMILES COCCN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N6O4S/c1-19-17-27-26(30-25(19)28-21-6-4-5-20(13-21)18-33)29-22-14-23(16-24(15-22)37(3,34)35)32-9-7-31(8-10-32)11-12-36-2/h4-6,13-17,33H,7-12,18H2,1-3H3,(H2,27,28,29,30)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353823
PNG
(CHEMBL1829422)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccoc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N4O3/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50288374
PNG
(CHEMBL4169982)
Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)nc1Nc1cccc(CO)c1
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(27-22(16)25-18-5-3-4-17(10-18)15-29)26-19-11-20(28-6-8-32-9-7-28)13-21(12-19)33(2,30)31/h3-5,10-14,29H,6-9,15H2,1-2H3,(H2,24,25,26,27)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...


J Med Chem 61: 5235-5244 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00076
BindingDB Entry DOI: 10.7270/Q2JH3PP4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446991
PNG
(CHEMBL3116054)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H17FN10/c1-9(13-18-4-10(17)5-19-13)22-16-24-14(23-12-7-26(2)8-20-12)11-6-21-27(3)15(11)25-16/h4-9H,1-3H3,(H2,22,23,24,25)/t9-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50135125
PNG
(CHEMBL3747305)
Show SMILES COc1ccc(cc1OC)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1
Show InChI InChI=1S/C20H24ClN5O2/c1-27-15-4-3-13(9-16(15)28-2)19-25-18-17(14(21)11-24-20(18)26-19)23-10-12-5-7-22-8-6-12/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H2,23,24,25,26)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GST-INCENP activated N-terminal 6His-tagged human recombinant full length Aurora B (1 to 344 residues) expressed in baculovirus express...


Bioorg Med Chem Lett 26: 60-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.031
BindingDB Entry DOI: 10.7270/Q2Z60QWQ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50353822
PNG
(CHEMBL1829431)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2onc(C)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C27H31N5O3/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay


J Med Chem 54: 6734-50 (2011)


Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335207
PNG
(CHEMBL1650731 | N4-[5-(dimethylamino)-1H-pyrazol-3...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(n[nH]2)N(C)C)n1)c1ncc(F)cn1
Show InChI InChI=1S/C15H17F2N9/c1-8(13-18-5-9(16)6-19-13)21-15-20-7-10(17)14(23-15)22-11-4-12(25-24-11)26(2)3/h4-8H,1-3H3,(H3,20,21,22,23,24,25)/t8-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
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