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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' AND taxid = 10090   
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 JAK2


(Mus musculus)
BDBM50559281
PNG
(CHEMBL4748354)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\C(=O)c2ccccc2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559279
PNG
(CHEMBL4754856)
Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
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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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


(Mus musculus)
BDBM50559282
PNG
(CHEMBL4759953)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\C(=O)c2ccc(C)cc2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559292
PNG
(CHEMBL4756422)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)\C=C\CN(C)C)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559284
PNG
(CHEMBL4753549)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\CN(C)C)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559293
PNG
(CHEMBL4789273)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)\C=C\C(=O)c2ccc(C)cc2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559275
PNG
(CHEMBL4798378)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CC#N)CCc3c2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559295
PNG
(CHEMBL4741075)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)\C=C\C(=O)c2ccccc2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in mouse BAF3 cells assessed as reduction in STAT5 phosphorylation incubated for 2 hrs by Western blot method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559290
PNG
(CHEMBL4741668)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(CC#N)Cc3c2)ncc1C
PDB
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559294
PNG
(CHEMBL4776245)
Show SMILES COC(=O)\C=C\CN1CCc2ccc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)cc2C1
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559286
PNG
(CHEMBL4760274)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(C\C=C\C(O)=O)CCc3c2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559288
PNG
(CHEMBL4756516)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(C\C=C\C(=O)NC(C)(C)C)CCc3c2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50505817
PNG
(CHEMBL4447631)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C
Show InChI InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50505817
PNG
(CHEMBL4447631)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C
Show InChI InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)
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West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 V617F mutant in BAF3 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


J Med Chem 62: 10305-10320 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01348
BindingDB Entry DOI: 10.7270/Q25X2D7B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559276
PNG
(CHEMBL4791651)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCC#N)CCc3c2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559270
PNG
(CHEMBL4754686)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCCO)CCc3c2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559289
PNG
(CHEMBL4789556)
Show SMILES CCN(CC)C(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559272
PNG
(CHEMBL4749454)
Show SMILES CCOCCN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559271
PNG
(CHEMBL4790747)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCCCO)CCc3c2)ncc1C
PDB
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559260
PNG
(CHEMBL4758253)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCO)CCc3c2)ncc1C
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559264
PNG
(CHEMBL4753147)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCO)CCc3c2)ncc1F
PDB
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559269
PNG
(CHEMBL4745529)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCCCO)CCc3c2)ncc1F
PDB
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559259
PNG
(CHEMBL4747449)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCO)CCc3c2)ncc1C
PDB
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559268
PNG
(CHEMBL4745971)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCCO)CCc3c2)ncc1F
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TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559274
PNG
(CHEMBL4748445)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CC=C)CCc3c2)ncc1C
PDB
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n/an/a 452n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559273
PNG
(CHEMBL4739994)
Show SMILES CCCCN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
PDB
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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559261
PNG
(CHEMBL4740411)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CO)ncc1F
PDB
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n/an/a 679n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559277
PNG
(CHEMBL4795467)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CC#C)CCc3c2)ncc1C
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n/an/a 695n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559267
PNG
(CHEMBL4778749)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCO)CCc3c2)ncc1F
PDB
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n/an/a 760n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559283
PNG
(CHEMBL4743195)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CCC(=O)c2ccc(C)cc2)ncc1C
PDB
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n/an/a 784n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1 |r|
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 850n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric a...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559278
PNG
(CHEMBL4776686)
Show SMILES CC#CCN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
PDB
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n/an/a 908n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559280
PNG
(CHEMBL4763560)
Show SMILES COC(=O)CCCN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
PDB
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n/an/a 938n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50210177
PNG
(ONX-0803 | Pacritinib | SB-1518 | SB1518)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29|
Show InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
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n/an/a 1.06E+3n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 V617F mutant in BAF3 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


J Med Chem 62: 10305-10320 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01348
BindingDB Entry DOI: 10.7270/Q25X2D7B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r|
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric a...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50591313
PNG
(GANDOTINIB | Gandotinib | LY-2784544 | LY2784544 |...)
Show SMILES Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1
PDB
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n/an/a 1.18E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559287
PNG
(CHEMBL4757237)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(C\C=C\C(=O)NCCN4CCCCC4)CCc3c2)ncc1C
PDB
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559265
PNG
(CHEMBL4741778)
Show SMILES CCCNC(=O)N1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
PDB
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n/an/a 1.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559291
PNG
(CHEMBL4744166)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCCO)CCc3n2)ncc1C
PDB
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n/an/a 1.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559263
PNG
(CHEMBL4778029)
Show SMILES CCNC(=O)N1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
PDB
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n/an/a 1.89E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric a...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559262
PNG
(CHEMBL4760064)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)Nc2cccc(Cl)c2)ncc1C
PDB
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n/an/a 2.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559258
PNG
(CHEMBL4789489)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCO)Cc3c2)ncc1C
PDB
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n/an/a 2.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559285
PNG
(CHEMBL4777006)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CCCN(C)C)ncc1C
PDB
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n/an/a 2.48E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559266
PNG
(CHEMBL4744889)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2cc3CCN(CCO)Cc3cc2F)ncc1C
PDB
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n/an/a 2.57E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50559257
PNG
(CHEMBL4793696)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3N(CCO)CCc3c2)ncc1C
PDB
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n/an/a 4.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01488
BindingDB Entry DOI: 10.7270/Q28P6472
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of JAK2 V617F mutant expressed in mouse BaF3 cells cells assessed as reduction in cell viability


Bioorg Med Chem 24: 5036-5046 (2016)


Article DOI: 10.1016/j.bmc.2016.08.008
BindingDB Entry DOI: 10.7270/Q2C82DRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)