Found 48 hits with Last Name = 'puleo' and Initial = 'de' 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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| 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)) | BDBM50514902
(CHEMBL4476380)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23) | PDB
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| n/a | n/a | 4.65E+4 | 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)) | BDBM50514902
(CHEMBL4476380)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23) | PDB
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| n/a | n/a | 1.00E+5 | 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)) | BDBM50315231
(4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...)Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2 | PDB
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| n/a | n/a | n/a | 4.20E+4 | 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)) | BDBM50243386
(CHEMBL4105310)Show SMILES Nc1nc(Nc2ccc(cc2)C(=O)NCCCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C42H34F2N8O7S/c43-31-5-4-6-32(44)35(31)37(56)52-39(45)50-40(51-52)48-23-9-7-22(8-10-23)36(55)46-17-2-1-3-18-47-41(60)49-24-11-14-28-27(19-24)38(57)59-42(28)29-15-12-25(53)20-33(29)58-34-21-26(54)13-16-30(34)42/h4-16,19-21,53-54H,1-3,17-18H2,(H,46,55)(H2,47,49,60)(H3,45,48,50,51) | PDB
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| n/a | n/a | n/a | 227 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243387
(CHEMBL4088281)Show SMILES CS(=O)(=O)NCc1cn(nn1)-c1nc(N)nc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C14H14N10O2S/c1-27(25,26)17-7-11-8-24(23-22-11)14-20-12(16)19-13(21-14)18-10-4-2-9(6-15)3-5-10/h2-5,8,17H,7H2,1H3,(H3,16,18,19,20,21) | PDB
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| n/a | n/a | n/a | 1.06E+5 | 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 | |
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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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 |
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)) | BDBM50243388
(AT-9283 | US10981896, Compound AT9283)Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27) | PDB
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| n/a | n/a | n/a | 11 | 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 | 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 JAK1
(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 | 21 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Binding affinity to JAK1 JH2 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514900
(CHEMBL4455581)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccccn1 Show InChI InChI=1S/C14H14N8O3S/c15-12-20-13(18-9-4-6-10(7-5-9)26(16,24)25)21-22(12)14(23)19-11-3-1-2-8-17-11/h1-8H,(H2,16,24,25)(H,17,19,23)(H3,15,18,20,21) | PDB
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| n/a | n/a | n/a | 3.05E+4 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514901
(CHEMBL4525245)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C18H17N7O5S/c19-16-23-17(21-12-6-8-14(9-7-12)31(20,29)30)24-25(16)18(28)22-13-4-1-11(2-5-13)3-10-15(26)27/h1-10H,(H,22,28)(H,26,27)(H2,20,29,30)(H3,19,21,23,24)/b10-3+ | PDB
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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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514902
(CHEMBL4476380)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23) | PDB
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| n/a | n/a | n/a | 4.23E+4 | 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)) | BDBM50514902
(CHEMBL4476380)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23) | PDB
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| n/a | n/a | n/a | 310 | 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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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)) | BDBM50514903
(CHEMBL4475907)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccccc1 Show InChI InChI=1S/C15H15N7O3S/c16-13-20-14(18-11-6-8-12(9-7-11)26(17,24)25)21-22(13)15(23)19-10-4-2-1-3-5-10/h1-9H,(H,19,23)(H2,17,24,25)(H3,16,18,20,21) | PDB
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| n/a | n/a | n/a | 4.70E+3 | 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)) | BDBM50514904
(CHEMBL4519945)Show SMILES COC(=O)COc1ccc(NC(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)cc1 Show InChI InChI=1S/C18H19N7O6S/c1-30-15(26)10-31-13-6-2-12(3-7-13)22-18(27)25-16(19)23-17(24-25)21-11-4-8-14(9-5-11)32(20,28)29/h2-9H,10H2,1H3,(H,22,27)(H2,20,28,29)(H3,19,21,23,24) | PDB
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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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514905
(CHEMBL4453849)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1cccnc1 Show InChI InChI=1S/C14H14N8O3S/c15-12-20-13(18-9-3-5-11(6-4-9)26(16,24)25)21-22(12)14(23)19-10-2-1-7-17-8-10/h1-8H,(H,19,23)(H2,16,24,25)(H3,15,18,20,21) | PDB
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| n/a | n/a | n/a | 1.23E+4 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514901
(CHEMBL4525245)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C18H17N7O5S/c19-16-23-17(21-12-6-8-14(9-7-12)31(20,29)30)24-25(16)18(28)22-13-4-1-11(2-5-13)3-10-15(26)27/h1-10H,(H,22,28)(H,26,27)(H2,20,29,30)(H3,19,21,23,24)/b10-3+ | PDB
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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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514906
(CHEMBL4437716)Show SMILES Nc1nc(Nc2ccc(cc2)C#N)nn1C(=O)Nc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C18H15N7O4/c19-9-11-4-6-12(7-5-11)21-17-23-16(20)25(24-17)18(28)22-13-2-1-3-14(8-13)29-10-15(26)27/h1-8H,10H2,(H,22,28)(H,26,27)(H3,20,21,23,24) | PDB
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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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514907
(CHEMBL4449644)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1nc(co1)C(O)=O Show InChI InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26) | PDB
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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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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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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)) | BDBM50514901
(CHEMBL4525245)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C18H17N7O5S/c19-16-23-17(21-12-6-8-14(9-7-12)31(20,29)30)24-25(16)18(28)22-13-4-1-11(2-5-13)3-10-15(26)27/h1-10H,(H,22,28)(H,26,27)(H2,20,29,30)(H3,19,21,23,24)/b10-3+ | PDB
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| n/a | n/a | n/a | 6.00E+3 | 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 | |
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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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)) | BDBM50514901
(CHEMBL4525245)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C18H17N7O5S/c19-16-23-17(21-12-6-8-14(9-7-12)31(20,29)30)24-25(16)18(28)22-13-4-1-11(2-5-13)3-10-15(26)27/h1-10H,(H,22,28)(H,26,27)(H2,20,29,30)(H3,19,21,23,24)/b10-3+ | PDB
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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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514907
(CHEMBL4449644)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1nc(co1)C(O)=O Show InChI InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26) | PDB
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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)) | BDBM50514902
(CHEMBL4476380)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23) | PDB
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| n/a | n/a | n/a | 540 | 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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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)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB
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| n/a | n/a | n/a | 2.00E+3 | 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)) | BDBM50366480
(ADENOSINE TRIPHOSPHATE | ATP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Binding affinity to 6XHis-tagged human JAK2 JH2 domain V617F mutant (513 to 827 residues) expressed in baculovirus infected Sf9 cells by MANT-ATP bin... |
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)) | BDBM50514908
(CHEMBL4539227)Show SMILES Nc1nc(Nc2ccc(cc2)C#N)nn1C(=O)Nc1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C18H15N7O4/c19-9-11-1-3-12(4-2-11)21-17-23-16(20)25(24-17)18(28)22-13-5-7-14(8-6-13)29-10-15(26)27/h1-8H,10H2,(H,22,28)(H,26,27)(H3,20,21,23,24) | PDB
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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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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)) | BDBM50514909
(CHEMBL4582077)Show SMILES CN(C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N)c1ccccc1 Show InChI InChI=1S/C16H17N7O3S/c1-22(12-5-3-2-4-6-12)16(24)23-14(17)20-15(21-23)19-11-7-9-13(10-8-11)27(18,25)26/h2-10H,1H3,(H2,18,25,26)(H3,17,19,20,21) | PDB
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| n/a | n/a | n/a | 4.78E+4 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514902
(CHEMBL4476380)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C17H17N7O6S/c18-15-22-16(20-10-3-7-13(8-4-10)31(19,28)29)23-24(15)17(27)21-11-1-5-12(6-2-11)30-9-14(25)26/h1-8H,9H2,(H,21,27)(H,25,26)(H2,19,28,29)(H3,18,20,22,23) | PDB
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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)) | BDBM50514910
(CHEMBL4440610)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1ccc(o1)C(O)=O Show InChI InChI=1S/C20H17N7O6S/c21-18-25-19(23-12-5-7-14(8-6-12)34(22,31)32)26-27(18)20(30)24-13-3-1-11(2-4-13)15-9-10-16(33-15)17(28)29/h1-10H,(H,24,30)(H,28,29)(H2,22,31,32)(H3,21,23,25,26) | PDB
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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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514907
(CHEMBL4449644)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1nc(co1)C(O)=O Show InChI InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26) | PDB
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| n/a | n/a | n/a | 6.60E+3 | 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)) | BDBM50514907
(CHEMBL4449644)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1nc(co1)C(O)=O Show InChI InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26) | PDB
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| n/a | n/a | n/a | 480 | 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)) | BDBM50366480
(ADENOSINE TRIPHOSPHATE | ATP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Binding affinity to wild type 6XHis-tagged human JAK2 JH2 domain (513 to 827 residues) expressed in baculovirus infected Sf9 cells by MANT-ATP bindin... |
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)) | BDBM6875
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3k ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F Show InChI InChI=1S/C15H14F2N6O2S/c16-12-2-1-3-13(17)11(12)8-23-14(18)21-15(22-23)20-9-4-6-10(7-5-9)26(19,24)25/h1-7H,8H2,(H2,19,24,25)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 1.67E+4 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50514911
(CHEMBL4560164)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1nnc(o1)C(O)=O Show InChI InChI=1S/C18H15N9O6S/c19-16-23-17(21-10-5-7-12(8-6-10)34(20,31)32)26-27(16)18(30)22-11-3-1-9(2-4-11)13-24-25-14(33-13)15(28)29/h1-8H,(H,22,30)(H,28,29)(H2,20,31,32)(H3,19,21,23,26) | PDB
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| n/a | n/a | n/a | 7.00E+3 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243385
(CHEMBL4072814)Show InChI InChI=1S/C15H13N7O/c16-8-10-1-3-11(4-2-10)18-15-19-13(17)7-14(20-15)22-6-5-12(9-23)21-22/h1-7,23H,9H2,(H3,17,18,19,20) | PDB
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| n/a | n/a | n/a | 5.73E+4 | 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)) | BDBM50243384
(CHEMBL4085778)Show InChI InChI=1S/C15H12N6O2/c16-7-9-1-3-10(4-2-9)18-15-20-13(19-14(17)21-15)12-6-5-11(8-22)23-12/h1-6,22H,8H2,(H3,17,18,19,20,21) | PDB
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| n/a | n/a | n/a | 1.22E+5 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB
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| PDB
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| n/a | n/a | n/a | 620 | 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)) | BDBM50243382
(CHEMBL4066154)Show SMILES CN(Cc1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1)C(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 Show InChI InChI=1S/C38H27F2N7O6S/c1-46(18-19-5-7-20(8-6-19)42-36-44-35(41)47(45-36)33(50)32-28(39)3-2-4-29(32)40)37(54)43-21-9-12-25-24(15-21)34(51)53-38(25)26-13-10-22(48)16-30(26)52-31-17-23(49)11-14-27(31)38/h2-17,48-49H,18H2,1H3,(H,43,54)(H3,41,42,44,45) | PDB
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| n/a | n/a | n/a | 205 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243383
(CHEMBL4097600)Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCNC(=O)O[C@@H]3[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)=[N+]1[B-]2(F)F |r,c:10,56,t:8| Show InChI InChI=1S/C27H35BF2N9O15P3/c1-14-9-15(2)38-18(14)10-17-4-3-16(39(17)28(38,29)30)5-6-20(40)32-7-8-33-27(42)52-23-19(11-50-56(46,47)54-57(48,49)53-55(43,44)45)51-26(22(23)41)37-13-36-21-24(31)34-12-35-25(21)37/h3-4,9-10,12-13,19,22-23,26,41H,5-8,11H2,1-2H3,(H,32,40)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,22-,23-,26-/m1/s1 | PDB
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| n/a | n/a | n/a | 7.00E+3 | 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 | |
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