Found 17 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM6866' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2M32T55 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00283 BindingDB Entry DOI: 10.7270/Q21G0R8F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | 2.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of wild type full length human JAK2 (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubated in buffer with compound ... |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Inhibition of full length human C-terminal FLAG-tagged JAK2 V617F mutant (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubate... |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse... |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to wild type human N-terminal TEV cleavage site-fused/His6-tagged JAK2 JH1 domain (840 to 1132 residues) expressed in baculovirus in... |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to human JAK2 (kinase domain 2/JH1 catalytic domain) by competitive binding assay |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse... |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain V617F mutant (536 to 812 residues) expre... |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to human C-terminal His8-tagged JAK2 pseudokinase (513 to 827 residues) expressed in baculovirus infected Hi-5 cells by intrinsic tr... |
J Med Chem 63: 5324-5340 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00192 BindingDB Entry DOI: 10.7270/Q2MW2MH3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00051 BindingDB Entry DOI: 10.7270/Q2Q52TN2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00283 BindingDB Entry DOI: 10.7270/Q21G0R8F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to N-terminal TEV-cleavable hexa-histidine tagged human JAK2 JH1 domain (840 to 1132 residues) expressed in baculovirus-infected Sf9... |
ACS Med Chem Lett 8: 618-621 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00153 BindingDB Entry DOI: 10.7270/Q29G5Q7Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to JAK2 JH1 domain (unknown origin) |
ACS Med Chem Lett 8: 618-621 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00153 BindingDB Entry DOI: 10.7270/Q29G5Q7Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to wild type JAK2 JH2 domain (unknown origin) by competitive fluorescence polarization assay |
ACS Med Chem Lett 8: 614-617 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00154 BindingDB Entry DOI: 10.7270/Q2F76FZ8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Binding affinity to JAK2 |
Bioorg Med Chem Lett 20: 7454-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.026 BindingDB Entry DOI: 10.7270/Q22B901J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |