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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50043836   
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


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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
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 |r|
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 JAK2


(Homo sapiens (Human))
BDBM50446995
PNG
(CHEMBL3116058)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccccc2n1)c1ncc(F)cn1 |r|
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 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
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 |r|
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 JAK1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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))
BDBM50446989
PNG
(CHEMBL3116056)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2scc(C)c2n1)c1ncc(F)cn1 |r|
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 JAK2


(Homo sapiens (Human))
BDBM50446983
PNG
(CHEMBL3116065)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 |r|
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 |r|
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 JAK2


(Homo sapiens (Human))
BDBM50446991
PNG
(CHEMBL3116054)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1 |r|
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50446991
PNG
(CHEMBL3116054)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1 |r|
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 16n/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 JAK1


(Homo sapiens (Human))
BDBM50446992
PNG
(CHEMBL3116053)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2c[nH]nc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)
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n/an/a 22n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human KDR


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))
BDBM50446988
PNG
(CHEMBL3116060)
Show SMILES COc1ccc2c(Nc3cn(C)cn3)nc(NC(C)c3ncc(F)cn3)nc2c1
Show InChI InChI=1S/C19H19FN8O/c1-11(17-21-7-12(20)8-22-17)24-19-25-15-6-13(29-3)4-5-14(15)18(27-19)26-16-9-28(2)10-23-16/h4-11H,1-3H3,(H2,24,25,26,27)
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n/an/a 24n/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))
BDBM50446981
PNG
(CHEMBL3116051)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1
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n/an/a 24n/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 ABL1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Abl


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))
BDBM50446993
PNG
(CHEMBL3116052)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H20FN9/c1-11(16-21-7-12(20)8-22-16)24-19-26-17(25-15-9-28(2)10-23-15)14-5-6-29(13-3-4-13)18(14)27-19/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27)/t11-/m0/s1
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n/an/a 27n/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))
BDBM50446981
PNG
(CHEMBL3116051)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1
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n/an/a 27n/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))
BDBM50446983
PNG
(CHEMBL3116065)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 |r|
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 28n/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 JAK1


(Homo sapiens (Human))
BDBM50446993
PNG
(CHEMBL3116052)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H20FN9/c1-11(16-21-7-12(20)8-22-16)24-19-26-17(25-15-9-28(2)10-23-15)14-5-6-29(13-3-4-13)18(14)27-19/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27)/t11-/m0/s1
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n/an/a 29n/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 Fgr


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Fgr


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))
BDBM50446987
PNG
(CHEMBL3116061)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C17H16FN9/c1-10(14-20-6-11(18)7-21-14)23-17-25-15-12(4-3-5-19-15)16(26-17)24-13-8-27(2)9-22-13/h3-10H,1-2H3,(H2,19,23,24,25,26)
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n/an/a 33n/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 JAK3


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK3


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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TrkA


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
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Flt4


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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 45n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Flt3


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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Ret


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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1


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))
BDBM50446992
PNG
(CHEMBL3116053)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2c[nH]nc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)
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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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ALK


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 A


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human aurora A kinase


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
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human LIMK1


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))
BDBM50446996
PNG
(CHEMBL3116057)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cn(C)cn2)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C14H14ClFN8/c1-8(12-17-3-9(16)4-18-12)21-14-19-5-10(15)13(23-14)22-11-6-24(2)7-20-11/h3-8H,1-2H3,(H2,19,21,22,23)/t8-/m0/s1
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n/an/a 120n/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))
BDBM50446987
PNG
(CHEMBL3116061)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C17H16FN9/c1-10(14-20-6-11(18)7-21-14)23-17-25-15-12(4-3-5-19-15)16(26-17)24-13-8-27(2)9-22-13/h3-10H,1-2H3,(H2,19,23,24,25,26)
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n/an/a 131n/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
Serine/threonine-protein kinase SIK1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human SIK


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
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta


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 JAK3


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 220n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (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
Non-receptor tyrosine-protein kinase TYK2 [5-1181]


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 240n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 in mouse BA/F3 cells expressing TEL-Tyk2 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


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak1 in mouse BA/F3 cells expressing TEL-Jak1 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 JAK2


(Homo sapiens (Human))
BDBM50446986
PNG
(CHEMBL3116062)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc(F)cnc2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H15F2N9/c1-9(14-20-5-11(19)6-21-14)24-17-26-15-12(3-10(18)4-22-15)16(27-17)25-13-7-28(2)8-23-13/h3-9H,1-2H3,(H2,22,24,25,26,27)/t9-/m0/s1
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n/an/a 490n/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))
BDBM50446994
PNG
(CHEMBL3116059)
Show SMILES COc1ccc2nc(NC(C)c3ncc(F)cn3)nc(Nc3cn(C)cn3)c2c1
Show InChI InChI=1S/C19H19FN8O/c1-11(17-21-7-12(20)8-22-17)24-19-25-15-5-4-13(29-3)6-14(15)18(27-19)26-16-9-28(2)10-23-16/h4-11H,1-3H3,(H2,24,25,26,27)
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n/an/a 670n/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))
BDBM50446984
PNG
(CHEMBL3116064)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2nccnc2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H15FN10/c1-9(13-20-5-10(17)6-21-13)23-16-25-14-12(18-3-4-19-14)15(26-16)24-11-7-27(2)8-22-11/h3-9H,1-2H3,(H2,19,23,24,25,26)/t9-/m0/s1
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n/an/a 800n/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 JAK3


(Homo sapiens (Human))
BDBM50446991
PNG
(CHEMBL3116054)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1 |r|
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 1.44E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (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))
BDBM50446984
PNG
(CHEMBL3116064)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2nccnc2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H15FN10/c1-9(13-20-5-10(17)6-21-13)23-16-25-14-12(18-3-4-19-14)15(26-16)24-11-7-27(2)8-22-11/h3-9H,1-2H3,(H2,19,23,24,25,26)/t9-/m0/s1
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n/an/a 1.50E+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 JAK3


(Homo sapiens (Human))
BDBM50446983
PNG
(CHEMBL3116065)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 |r|
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 1.82E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (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 JAK3


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
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
PDB
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 in mouse BA/F3 cells expressing TEL-Jak3 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 JAK3


(Homo sapiens (Human))
BDBM50446993
PNG
(CHEMBL3116052)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H20FN9/c1-11(16-21-7-12(20)8-22-16)24-19-26-17(25-15-9-28(2)10-23-15)14-5-6-29(13-3-4-13)18(14)27-19/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27)/t11-/m0/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (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 JAK3


(Homo sapiens (Human))
BDBM50446987
PNG
(CHEMBL3116061)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
Show InChI InChI=1S/C17H16FN9/c1-10(14-20-6-11(18)7-21-14)23-17-25-15-12(4-3-5-19-15)16(26-17)24-13-8-27(2)9-22-13/h3-10H,1-2H3,(H2,19,23,24,25,26)
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n/an/a 3.78E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (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 JAK3


(Homo sapiens (Human))
BDBM50446989
PNG
(CHEMBL3116056)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2scc(C)c2n1)c1ncc(F)cn1 |r|
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 3.93E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (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
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