Found 417 hits of Enzyme Inhibition Constant Data 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 JAK3
(Homo sapiens (Human)) | BDBM113083
(US8633206, 1)Show SMILES CN(C1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:5.5,(-6.62,.53,;-5.29,-.24,;-3.96,.53,;-3.96,2.07,;-2.62,2.84,;-1.29,2.07,;.05,2.84,;1.38,2.07,;.61,.74,;2.15,.74,;2.71,2.84,;2.71,4.38,;4.18,4.86,;5.08,3.61,;6.62,3.61,;4.18,2.37,;-1.29,.53,;-2.62,-.24,;-5.29,-1.78,;-6.62,-2.55,;-6.62,-4.09,;-5.29,-4.86,;-3.96,-4.09,;-2.49,-4.56,;-1.59,-3.32,;-2.49,-2.07,;-3.96,-2.55,)| Show InChI InChI=1S/C18H27N5O3S/c1-22(18-16-6-8-19-17(16)20-12-21-18)14-4-2-13(3-5-14)11-27(25,26)23-9-7-15(24)10-23/h6,8,12-15,24H,2-5,7,9-11H2,1H3,(H,19,20,21)/t13-,14?,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 163 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113089
(US8633206, 7)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)OCC(N)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;2.67,1.93,;5.33,1.93,;5.33,.39,;6.67,-.38,;6.67,-1.92,;8,.39,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)| Show InChI InChI=1S/C21H32N6O4S/c1-26(21-18-8-9-23-20(18)24-14-25-21)16-6-4-15(5-7-16)13-32(29,30)27-10-2-3-17(11-27)31-12-19(22)28/h8-9,14-17H,2-7,10-13H2,1H3,(H2,22,28)(H,23,24,25)/t15-,16-,17? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113126
(US8633206, 44)Show SMILES CCC1(CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(N)=O |r,wU:12.12,wD:15.19,(-8.52,3.47,;-7.19,2.69,;-5.85,3.47,;-4.52,4.23,;-3.19,3.47,;-3.19,1.93,;-4.52,1.15,;-5.85,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-.52,1.93,;.82,1.15,;2.15,1.92,;3.48,1.15,;3.48,-.39,;2.15,-1.15,;.82,-.39,;4.82,-1.16,;6.15,-.39,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,;-5.85,5,;-7.19,5.78,;-4.52,5.78,)| Show InChI InChI=1S/C22H34N6O3S/c1-3-22(21(23)29)9-12-28(13-10-22)32(30,31)14-16-4-6-17(7-5-16)27(2)20-18-8-11-24-19(18)25-15-26-20/h8,11,15-17H,3-7,9-10,12-14H2,1-2H3,(H2,23,29)(H,24,25,26)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 353 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113139
(US8633206, 57)Show SMILES CN(C)S(=O)(=O)C[C@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:17.17,7.6,wD:20.24,(-7.85,-1.92,;-7.85,-.38,;-9.19,.39,;-6.52,.39,;-5.19,-.38,;-5.19,1.16,;-6.52,1.93,;-5.19,2.69,;-5.19,4.23,;-3.85,5,;-2.52,4.23,;-2.52,2.69,;-3.85,1.93,;-1.18,1.93,;-1.18,.38,;.15,1.15,;.15,2.69,;1.48,1.93,;2.82,2.69,;4.15,1.93,;4.15,.38,;2.82,-.38,;1.48,.38,;5.48,-.38,;6.82,.38,;5.48,-1.93,;4.15,-2.69,;4.15,-4.23,;5.48,-5,;6.82,-4.23,;8.28,-4.71,;9.19,-3.47,;8.28,-2.22,;6.82,-2.69,)| Show InChI InChI=1S/C22H36N6O4S2/c1-26(2)33(29,30)15-18-5-4-12-28(13-18)34(31,32)14-17-6-8-19(9-7-17)27(3)22-20-10-11-23-21(20)24-16-25-22/h10-11,16-19H,4-9,12-15H2,1-3H3,(H,23,24,25)/t17-,18-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 453 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113164
(US8633206, 82)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)Cc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.83,.53,;6.5,-.24,;5.17,.53,;5.17,2.07,;3.83,2.84,;2.5,2.07,;1.17,2.84,;-.17,2.07,;-.17,.53,;1.17,1.3,;-1.5,2.84,;-1.49,4.38,;-2.95,4.86,;-3.86,3.61,;-2.95,2.37,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-5.74,1.73,;-7.23,1.33,;-8.32,2.42,;-9.81,2.02,;-10.2,.53,;-9.11,-.56,;-7.63,-.16,;2.5,.53,;3.83,-.24,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)| Show InChI InChI=1S/C25H33N5O4S2/c1-29(25-23-11-13-26-24(23)27-18-28-25)21-9-7-20(8-10-21)17-36(33,34)30-14-12-22(15-30)35(31,32)16-19-5-3-2-4-6-19/h2-6,11,13,18,20-22H,7-10,12,14-17H2,1H3,(H,26,27,28)/t20-,21-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113186
(US8633206, 104)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Cc3ccccc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.55,.53,;5.21,-.24,;3.88,.53,;3.88,2.07,;2.54,2.84,;1.21,2.07,;-.12,2.84,;-1.46,2.07,;-1.46,.53,;-.12,1.3,;-2.79,2.84,;-2.77,4.38,;-4.24,4.86,;-5.14,3.61,;-6.63,3.21,;-7.03,1.73,;-8.52,1.33,;-8.92,-.16,;-7.83,-1.25,;-6.34,-.85,;-5.94,.64,;-4.24,2.37,;1.21,.53,;2.54,-.24,;5.21,-1.78,;3.88,-2.55,;3.88,-4.09,;5.21,-4.86,;6.55,-4.09,;8.01,-4.56,;8.92,-3.32,;8.01,-2.07,;6.55,-2.55,)| Show InChI InChI=1S/C25H33N5O2S/c1-29(25-23-11-13-26-24(23)27-18-28-25)22-9-7-20(8-10-22)17-33(31,32)30-14-12-21(16-30)15-19-5-3-2-4-6-19/h2-6,11,13,18,20-22H,7-10,12,14-17H2,1H3,(H,26,27,28)/t20-,21-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 721 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113203
(US8633206, 121)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C(=O)NC2CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.2,-.77,;5.87,-1.54,;4.53,-.77,;4.53,.77,;3.2,1.54,;1.87,.77,;.53,1.54,;-.8,.77,;-.8,-.77,;.53,,;-2.13,1.54,;-2.13,3.08,;-3.47,3.85,;-4.8,3.08,;-4.8,1.54,;-3.47,.77,;-6.13,3.85,;-6.13,5.39,;-7.47,6.16,;-8.8,5.39,;-8.8,3.85,;-7.47,3.08,;-7.47,1.54,;-6.13,.77,;-8.8,.77,;-8.8,-.77,;-9.57,-2.1,;-8.03,-2.1,;1.87,-.77,;3.2,-1.54,;5.87,-3.08,;4.53,-3.85,;4.53,-5.39,;5.87,-6.16,;7.2,-5.39,;8.67,-5.87,;9.57,-4.62,;8.67,-3.37,;7.2,-3.85,)| Show InChI InChI=1S/C27H36N8O3S/c1-33(25-22-10-12-28-24(22)30-18-31-25)21-8-4-19(5-9-21)17-39(37,38)35-15-13-34(14-16-35)26-23(3-2-11-29-26)27(36)32-20-6-7-20/h2-3,10-12,18-21H,4-9,13-17H2,1H3,(H,32,36)(H,28,30,31)/t19-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 595 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113204
(US8633206, 122)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-6.52,5.39,;-7.85,6.16,;-9.19,5.39,;-9.19,3.85,;-7.85,3.08,;-7.85,1.54,;-7.85,,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)| Show InChI InChI=1S/C24H30N8O2S/c1-30(24-21-8-10-26-22(21)28-17-29-24)20-6-4-18(5-7-20)16-35(33,34)32-13-11-31(12-14-32)23-19(15-25)3-2-9-27-23/h2-3,8-10,17-18,20H,4-7,11-14,16H2,1H3,(H,26,28,29)/t18-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 271 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113093
(US8633206, 11)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(N)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;4,1.93,;5.33,2.7,;5.33,4.24,;6.67,5.01,;4,5,;2.67,4.24,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C19H30N6O2S/c1-24(19-17-6-9-21-18(17)22-13-23-19)16-4-2-14(3-5-16)12-28(26,27)25-10-7-15(20)8-11-25/h6,9,13-16H,2-5,7-8,10-12,20H2,1H3,(H,21,22,23)/t14-,16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 97.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113120
(US8633206, 38)Show SMILES CC1CN(CCN1C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,wD:12.12,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;6.67,5.01,;1.33,1.93,;1.33,.39,;.56,3.26,;,2.7,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.39,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C20H32N6O2S/c1-15-12-26(11-10-24(15)2)29(27,28)13-16-4-6-17(7-5-16)25(3)20-18-8-9-21-19(18)22-14-23-20/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,21,22,23)/t15?,16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113124
(US8633206, 42)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,,;4.82,-.77,;3.48,,;3.48,1.54,;2.15,2.31,;.82,1.54,;-.52,2.31,;-1.85,1.54,;-1.85,,;-.52,.77,;-3.19,2.31,;-3.19,3.85,;-4.52,4.62,;-5.85,3.85,;-5.85,2.31,;-4.52,1.54,;-7.19,4.62,;-8.52,5.39,;.82,,;2.15,-.77,;4.82,-2.31,;3.48,-3.08,;3.48,-4.62,;4.82,-5.39,;6.15,-4.62,;7.61,-5.1,;8.52,-3.85,;7.61,-2.6,;6.15,-3.08,)| Show InChI InChI=1S/C20H28N6O2S/c1-25(20-18-6-9-22-19(18)23-14-24-20)17-4-2-16(3-5-17)13-29(27,28)26-10-7-15(12-21)8-11-26/h6,9,14-17H,2-5,7-8,10-11,13H2,1H3,(H,22,23,24)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 66.9 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113129
(US8633206, 47)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C(C)(C)O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-.39,;4.82,-1.16,;3.48,-.39,;3.48,1.15,;2.15,1.92,;.82,1.15,;-.52,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-3.19,1.93,;-3.19,3.47,;-4.52,4.23,;-5.85,3.47,;-5.85,1.93,;-4.52,1.15,;-7.19,4.24,;-7.19,5.78,;-8.52,5.01,;-8.52,3.47,;.82,-.39,;2.15,-1.15,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,)| Show InChI InChI=1S/C22H35N5O3S/c1-22(2,28)17-9-12-27(13-10-17)31(29,30)14-16-4-6-18(7-5-16)26(3)21-19-8-11-23-20(19)24-15-25-21/h8,11,15-18,28H,4-7,9-10,12-14H2,1-3H3,(H,23,24,25)/t16-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 68.4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113130
(US8633206, 48)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(Cc3ccc(C)nn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(8.15,.38,;6.82,-.39,;5.48,.38,;5.48,1.92,;4.15,2.69,;2.82,1.92,;1.48,2.69,;.15,1.93,;.15,.38,;1.48,1.15,;-1.18,2.69,;-1.18,4.23,;-2.52,5,;-3.85,4.23,;-5.19,5.01,;-6.52,4.24,;-7.85,5.01,;-9.19,4.24,;-9.19,2.7,;-10.52,1.93,;-7.85,1.93,;-6.52,2.7,;-3.85,2.69,;-2.52,1.93,;2.82,.38,;4.15,-.38,;6.82,-1.93,;5.48,-2.7,;5.48,-4.24,;6.82,-5.01,;8.15,-4.24,;9.62,-4.71,;10.52,-3.47,;9.62,-2.22,;8.15,-2.7,)| Show InChI InChI=1S/C25H35N7O2S/c1-18-3-6-21(30-29-18)15-19-10-13-32(14-11-19)35(33,34)16-20-4-7-22(8-5-20)31(2)25-23-9-12-26-24(23)27-17-28-25/h3,6,9,12,17,19-20,22H,4-5,7-8,10-11,13-16H2,1-2H3,(H,26,27,28)/t20-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 84.9 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113148
(US8633206, 66)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-7.19,1.93,;-7.19,.39,;-5.85,-.38,;-8.52,-.38,;-7.19,-1.15,;-4.52,1.93,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)| Show InChI InChI=1S/C20H32N6O4S2/c1-25(20-18-8-9-22-19(18)23-14-24-20)17-6-4-15(5-7-17)13-32(29,30)26-10-2-3-16(11-26)12-31(21,27)28/h8-9,14-17H,2-7,10-13H2,1H3,(H2,21,27,28)(H,22,23,24)/t15-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113167
(US8633206, 85)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CCc3cc(C)no3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.05,-2.8,;4.72,-3.57,;3.39,-2.8,;3.39,-1.26,;2.05,-.49,;.72,-1.26,;-.62,-.49,;-1.95,-1.26,;-1.95,-2.8,;-.62,-2.03,;-3.28,-.49,;-3.27,1.05,;-4.73,1.53,;-5.64,.28,;-6.41,-1.05,;-6.41,1.61,;-5.64,2.95,;-6.41,4.28,;-5.93,5.75,;-7.18,6.65,;-7.18,8.19,;-8.42,5.75,;-7.95,4.28,;-4.73,-.97,;.72,-2.8,;2.05,-3.57,;4.72,-5.11,;3.39,-5.88,;3.39,-7.42,;4.72,-8.19,;6.05,-7.42,;7.52,-7.9,;8.42,-6.65,;7.52,-5.4,;6.05,-5.88,)| Show InChI InChI=1S/C24H34N6O4S/c1-17-13-20(34-28-17)7-9-24(31)10-12-30(15-24)35(32,33)14-18-3-5-19(6-4-18)29(2)23-21-8-11-25-22(21)26-16-27-23/h8,11,13,16,18-19,31H,3-7,9-10,12,14-15H2,1-2H3,(H,25,26,27)/t18-,19-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 46.2 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113180
(US8633206, 98)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)OCC(=O)N2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.28,.53,;5.94,-.24,;4.61,.53,;4.61,2.07,;3.28,2.84,;1.94,2.07,;.61,2.84,;-.72,2.07,;-.72,.53,;.61,1.3,;-2.06,2.84,;-2.04,4.38,;-3.51,4.86,;-4.41,3.61,;-3.51,2.37,;-5.9,3.21,;-6.3,1.73,;-7.78,1.33,;-8.87,2.42,;-8.18,-.16,;-9.65,-.64,;-9.65,-2.18,;-8.18,-2.65,;-7.28,-1.41,;1.94,.53,;3.28,-.24,;5.94,-1.78,;4.61,-2.55,;4.61,-4.09,;5.94,-4.86,;7.28,-4.09,;8.74,-4.56,;9.65,-3.32,;8.74,-2.07,;7.28,-2.55,)| Show InChI InChI=1S/C24H36N6O4S/c1-28(24-21-8-10-25-23(21)26-17-27-24)19-6-4-18(5-7-19)16-35(32,33)30-13-9-20(14-30)34-15-22(31)29-11-2-3-12-29/h8,10,17-20H,2-7,9,11-16H2,1H3,(H,25,26,27)/t18-,19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 29.6 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113181
(US8633206, 99)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(4.95,-.01,;3.62,-.78,;2.28,-.01,;2.28,1.53,;.95,2.3,;-.38,1.53,;-1.72,2.3,;-3.05,1.53,;-3.05,-.01,;-1.72,.76,;-4.38,2.3,;-5.83,1.82,;-6.74,3.07,;-5.83,4.31,;-7.32,4.71,;-4.74,5.4,;-4.37,3.84,;-.38,-.01,;.95,-.78,;3.62,-2.32,;2.28,-3.09,;2.28,-4.63,;3.62,-5.4,;4.95,-4.63,;6.42,-5.11,;7.32,-3.86,;6.42,-2.62,;4.95,-3.09,)| Show InChI InChI=1S/C19H29N5O3S/c1-19(25)8-10-24(12-19)28(26,27)11-14-3-5-15(6-4-14)23(2)18-16-7-9-20-17(16)21-13-22-18/h7,9,13-15,25H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 39.2 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113211
(US8633206, 130)Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC(CO)CC2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C21H33N5O3S/c1-15-11-17(13-30(28,29)26-9-6-16(12-27)7-10-26)3-4-19(15)25(2)21-18-5-8-22-20(18)23-14-24-21/h5,8,14-17,19,27H,3-4,6-7,9-13H2,1-2H3,(H,22,23,24)/t15-,17+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 32.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113220
(US8633206, 139)Show SMILES COCCOC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(8,-2.69,;6.67,-1.92,;6.67,-.38,;5.33,.39,;5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,1.93,;-.77,.59,;.77,.59,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-6.67,-.38,;-8,.38,;-6.67,-1.93,;-8,-2.69,;-8,-4.23,;-6.67,-5,;-5.33,-4.23,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.69,)| Show InChI InChI=1S/C22H35N5O4S/c1-26(22-20-9-10-23-21(20)24-16-25-22)18-7-5-17(6-8-18)15-32(28,29)27-11-3-4-19(14-27)31-13-12-30-2/h9-10,16-19H,3-8,11-15H2,1-2H3,(H,23,24,25)/t17-,18-,19? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.00405 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM113221
(US8633206, 140)Show SMILES CCOP(=O)(OCC)O[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:22.26,9.8,wD:19.19,(9.44,2.7,;8.11,1.93,;6.77,2.7,;5.23,2.7,;5.23,4.24,;6,1.36,;7.34,.59,;8.67,1.36,;3.9,1.93,;2.56,2.69,;2.56,4.23,;1.23,5,;-.1,4.23,;-.1,2.69,;1.23,1.93,;-1.44,1.93,;-2.21,.59,;-.67,.59,;-2.77,2.69,;-4.1,1.93,;-5.44,2.69,;-6.77,1.93,;-6.77,.38,;-5.44,-.38,;-4.1,.38,;-8.11,-.38,;-9.44,.38,;-8.11,-1.93,;-9.44,-2.69,;-9.44,-4.23,;-8.11,-5,;-6.77,-4.23,;-5.31,-4.71,;-4.4,-3.47,;-5.31,-2.22,;-6.77,-2.69,)| Show InChI InChI=1S/C23H38N5O6PS/c1-4-32-35(29,33-5-2)34-20-7-6-14-28(15-20)36(30,31)16-18-8-10-19(11-9-18)27(3)23-21-12-13-24-22(21)25-17-26-23/h12-13,17-20H,4-11,14-16H2,1-3H3,(H,24,25,26)/t18-,19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.116 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113085
(US8633206, 3)Show SMILES CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C21H33N5O3S/c1-3-29-18-5-4-12-26(13-18)30(27,28)14-16-6-8-17(9-7-16)25(2)21-19-10-11-22-20(19)23-15-24-21/h10-11,15-18H,3-9,12-14H2,1-2H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113102
(US8633206, 20)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CNC(C)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;6.67,-1.92,;2.67,1.93,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)| Show InChI InChI=1S/C22H34N6O3S/c1-16(29)24-12-18-4-3-11-28(13-18)32(30,31)14-17-5-7-19(8-6-17)27(2)22-20-9-10-23-21(20)25-15-26-22/h9-10,15,17-19H,3-8,11-14H2,1-2H3,(H,24,29)(H,23,25,26)/t17-,18?,19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.66 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113135
(US8633206, 53)Show SMILES CC[C@H](O)C1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,2.2,wD:17.21,(-8.52,6.16,;-7.19,5.39,;-7.19,3.85,;-8.52,3.08,;-5.85,3.08,;-4.52,3.85,;-3.19,3.08,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-1.85,.77,;-1.85,-.77,;-.52,,;-.52,1.54,;.82,.77,;2.15,1.54,;3.48,.77,;3.48,-.77,;2.15,-1.54,;.82,-.77,;4.82,-1.54,;6.15,-.77,;4.82,-3.08,;3.48,-3.85,;3.48,-5.39,;4.82,-6.16,;6.15,-5.39,;7.61,-5.87,;8.52,-4.62,;7.61,-3.37,;6.15,-3.85,)| Show InChI InChI=1S/C22H35N5O3S/c1-3-20(28)17-9-12-27(13-10-17)31(29,30)14-16-4-6-18(7-5-16)26(2)22-19-8-11-23-21(19)24-15-25-22/h8,11,15-18,20,28H,3-7,9-10,12-14H2,1-2H3,(H,23,24,25)/t16-,18-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22.8 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113142
(US8633206, 60)Show SMILES CO[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,2.1,wD:15.19,(-7.19,6.16,;-5.85,5.39,;-5.85,3.85,;-7.19,3.08,;-7.19,1.54,;-5.85,.77,;-4.52,1.54,;-4.52,3.08,;-3.19,.77,;-3.19,-.77,;-1.85,,;-1.85,1.54,;-.52,.77,;.82,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.52,-.77,;3.48,-1.54,;4.82,-.77,;3.48,-3.08,;2.15,-3.85,;2.15,-5.39,;3.48,-6.16,;4.82,-5.39,;6.28,-5.87,;7.19,-4.62,;6.28,-3.37,;4.82,-3.85,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-9-10-21-19(18)22-14-23-20)16-7-5-15(6-8-16)13-29(26,27)25-11-3-4-17(12-25)28-2/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113143
(US8633206, 61)Show SMILES C[C@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,1.0,wD:14.18,(-7.85,1.93,;-6.52,2.69,;-6.52,4.23,;-5.19,5,;-3.85,4.23,;-3.85,2.69,;-5.19,1.93,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-1.18,2.69,;.15,1.93,;1.48,2.69,;2.82,1.93,;2.82,.38,;1.48,-.38,;.15,.38,;4.15,-.38,;5.48,.38,;4.15,-1.93,;2.82,-2.69,;2.82,-4.23,;4.15,-5,;5.48,-4.23,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.69,)| Show InChI InChI=1S/C20H31N5O2S/c1-15-4-3-11-25(12-15)28(26,27)13-16-5-7-17(8-6-16)24(2)20-18-9-10-21-19(18)22-14-23-20/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10.8 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113151
(US8633206, 69)Show SMILES COC[C@H]1CCCN1S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,3.2,wD:15.19,(-7.72,-1.01,;-7.32,.48,;-5.83,.88,;-5.43,2.37,;-6.34,3.61,;-5.43,4.86,;-3.97,4.38,;-3.99,2.84,;-2.65,2.07,;-2.65,.53,;-1.32,1.3,;-1.32,2.84,;.01,2.07,;1.35,2.84,;2.68,2.07,;2.68,.53,;1.35,-.24,;.01,.53,;4.02,-.24,;5.35,.53,;4.02,-1.78,;2.68,-2.55,;2.68,-4.09,;4.02,-4.86,;5.35,-4.09,;6.81,-4.56,;7.72,-3.32,;6.81,-2.07,;5.35,-2.55,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-9-10-21-19(18)22-14-23-20)16-7-5-15(6-8-16)13-29(26,27)25-11-3-4-17(25)12-28-2/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.55 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113155
(US8633206, 73)Show SMILES COC[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,3.2,wD:15.19,(-7.72,6.54,;-7.32,5.06,;-5.83,4.66,;-5.43,3.17,;-6.34,1.93,;-5.43,.68,;-3.99,1.16,;-3.97,2.7,;-2.65,.39,;-2.65,-1.15,;-1.32,-.38,;-1.32,1.16,;.01,.39,;1.35,1.16,;2.68,.39,;2.68,-1.15,;1.35,-1.92,;.01,-1.15,;4.02,-1.92,;5.35,-1.15,;4.02,-3.46,;2.68,-4.23,;2.68,-5.77,;4.02,-6.54,;5.35,-5.77,;6.81,-6.25,;7.72,-5,;6.81,-3.76,;5.35,-4.23,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-7-9-21-19(18)22-14-23-20)17-5-3-15(4-6-17)13-29(26,27)25-10-8-16(11-25)12-28-2/h7,9,14-17H,3-6,8,10-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.69 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113167
(US8633206, 85)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CCc3cc(C)no3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.05,-2.8,;4.72,-3.57,;3.39,-2.8,;3.39,-1.26,;2.05,-.49,;.72,-1.26,;-.62,-.49,;-1.95,-1.26,;-1.95,-2.8,;-.62,-2.03,;-3.28,-.49,;-3.27,1.05,;-4.73,1.53,;-5.64,.28,;-6.41,-1.05,;-6.41,1.61,;-5.64,2.95,;-6.41,4.28,;-5.93,5.75,;-7.18,6.65,;-7.18,8.19,;-8.42,5.75,;-7.95,4.28,;-4.73,-.97,;.72,-2.8,;2.05,-3.57,;4.72,-5.11,;3.39,-5.88,;3.39,-7.42,;4.72,-8.19,;6.05,-7.42,;7.52,-7.9,;8.42,-6.65,;7.52,-5.4,;6.05,-5.88,)| Show InChI InChI=1S/C24H34N6O4S/c1-17-13-20(34-28-17)7-9-24(31)10-12-30(15-24)35(32,33)14-18-3-5-19(6-4-18)29(2)23-21-8-11-25-22(21)26-16-27-23/h8,11,13,16,18-19,31H,3-7,9-10,12,14-15H2,1-2H3,(H,25,26,27)/t18-,19-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113178
(US8633206, 96)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](COCc3cccnc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(7.49,.53,;6.15,-.24,;4.82,.53,;4.82,2.07,;3.49,2.84,;2.15,2.07,;.82,2.84,;-.51,2.07,;-.51,.53,;.82,1.3,;-1.85,2.84,;-1.83,4.38,;-3.3,4.86,;-4.2,3.61,;-5.69,3.21,;-6.09,1.73,;-7.57,1.33,;-7.97,-.16,;-9.46,-.56,;-9.86,-2.05,;-8.77,-3.14,;-7.28,-2.74,;-6.88,-1.25,;-3.3,2.37,;2.15,.53,;3.49,-.24,;6.15,-1.78,;4.82,-2.55,;4.82,-4.09,;6.15,-4.86,;7.49,-4.09,;8.95,-4.56,;9.86,-3.32,;8.95,-2.07,;7.49,-2.55,)| Show InChI InChI=1S/C25H34N6O3S/c1-30(25-23-8-11-27-24(23)28-18-29-25)22-6-4-19(5-7-22)17-35(32,33)31-12-9-21(14-31)16-34-15-20-3-2-10-26-13-20/h2-3,8,10-11,13,18-19,21-22H,4-7,9,12,14-17H2,1H3,(H,27,28,29)/t19-,21-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 19.3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113190
(US8633206, 108)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,14.15,(6.4,.53,;5.06,-.24,;3.73,.53,;3.73,2.07,;2.39,2.84,;1.06,2.07,;-.27,2.84,;-1.61,2.07,;-1.61,.53,;-.27,1.3,;-2.94,2.84,;-2.92,4.38,;-4.39,4.86,;-5.29,3.61,;-4.39,2.37,;-4.79,.88,;-6.27,.48,;-6.75,-.98,;-8.29,-.98,;-8.77,.48,;-7.52,1.39,;1.06,.53,;2.39,-.24,;5.06,-1.78,;3.73,-2.55,;3.73,-4.09,;5.06,-4.86,;6.4,-4.09,;7.86,-4.56,;8.77,-3.32,;7.86,-2.07,;6.4,-2.55,)| Show InChI InChI=1S/C23H36N6O2S/c1-27(23-21-10-11-24-22(21)25-17-26-23)19-8-6-18(7-9-19)16-32(30,31)29-14-4-5-20(29)15-28-12-2-3-13-28/h10-11,17-20H,2-9,12-16H2,1H3,(H,24,25,26)/t18-,19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.73 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113194
(US8633206, 112)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(5.09,.61,;3.76,-.16,;2.43,.61,;2.43,2.15,;1.09,2.92,;-.24,2.15,;-1.58,2.92,;-2.91,2.15,;-2.91,.61,;-1.58,1.38,;-4.24,2.92,;-4.64,4.41,;-6.13,4.01,;-7.46,4.78,;-5.73,2.52,;-.24,.61,;1.09,-.16,;3.76,-1.7,;2.43,-2.47,;2.43,-4.01,;3.76,-4.78,;5.09,-4.01,;6.56,-4.49,;7.46,-3.24,;6.56,-1.99,;5.09,-2.47,)| Show InChI InChI=1S/C17H24FN5O2S/c1-22(17-15-6-7-19-16(15)20-11-21-17)14-4-2-12(3-5-14)10-26(24,25)23-8-13(18)9-23/h6-7,11-14H,2-5,8-10H2,1H3,(H,19,20,21)/t12-,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12.5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113198
(US8633206, 116)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)S(=O)(=O)CC2CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.2,-.16,;5.86,-.93,;4.53,-.16,;4.53,1.38,;3.2,2.15,;1.86,1.38,;.53,2.15,;-.81,1.38,;-.81,-.16,;.53,.61,;-2.14,2.15,;-2.54,3.64,;-4.03,3.24,;-3.63,1.75,;-5.36,4.01,;-5.36,5.55,;-6.69,4.78,;-6.69,3.24,;-8.03,4.01,;-8.8,5.34,;-9.57,4.01,;1.86,-.16,;3.2,-.93,;5.86,-2.47,;4.53,-3.24,;4.53,-4.78,;5.86,-5.55,;7.2,-4.78,;8.66,-5.26,;9.57,-4.01,;8.66,-2.76,;7.2,-3.24,)| Show InChI InChI=1S/C21H31N5O4S2/c1-25(21-19-8-9-22-20(19)23-14-24-21)17-6-4-16(5-7-17)13-32(29,30)26-10-18(11-26)31(27,28)12-15-2-3-15/h8-9,14-18H,2-7,10-13H2,1H3,(H,22,23,24)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113211
(US8633206, 130)Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC(CO)CC2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C21H33N5O3S/c1-15-11-17(13-30(28,29)26-9-6-16(12-27)7-10-26)3-4-19(15)25(2)21-18-5-8-22-20(18)23-14-24-21/h5,8,14-17,19,27H,3-4,6-7,9-13H2,1-2H3,(H,22,23,24)/t15-,17+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7.41 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113215
(US8633206, 134)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C2)OC(=O)C(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,(-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.93,;-4.67,2.69,;-3.33,1.93,;-2,2.69,;-.67,1.93,;-2,1.15,;-.67,.38,;.67,2.69,;.67,4.23,;2,5,;3.33,4.23,;3.33,2.69,;2,1.93,;4.67,1.93,;6,2.69,;6,4.23,;7.34,1.93,;8.67,2.69,;7.34,.38,;8.67,1.15,;-3.33,.38,;-4.67,-.38,;-7.34,-1.93,;-8.67,-2.69,;-8.67,-4.23,;-7.34,-5,;-6,-4.23,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.69,)| Show InChI InChI=1S/C24H37N5O4S/c1-24(2,3)23(30)33-19-6-5-13-29(14-19)34(31,32)15-17-7-9-18(10-8-17)28(4)22-20-11-12-25-21(20)26-16-27-22/h11-12,16-19H,5-10,13-15H2,1-4H3,(H,25,26,27)/t17-,18-,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0227 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113216
(US8633206, 135)Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.00199 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM113218
(US8633206, 137)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.62,.49,;-5.29,-.28,;-3.96,.49,;-3.96,2.03,;-2.62,2.8,;-1.29,2.03,;.05,2.8,;1.38,2.03,;.61,.69,;2.15,.69,;2.71,2.8,;2.71,4.34,;4.18,4.81,;5.08,3.57,;5.85,4.9,;6.62,3.57,;4.18,2.32,;-1.29,.49,;-2.62,-.28,;-5.29,-1.82,;-6.62,-2.59,;-6.62,-4.13,;-5.29,-4.9,;-3.96,-4.13,;-2.49,-4.61,;-1.59,-3.36,;-2.49,-2.12,;-3.96,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-19(25)8-10-24(12-19)28(26,27)11-14-3-5-15(6-4-14)23(2)18-16-7-9-20-17(16)21-13-22-18/h7,9,13-15,25H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,19? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.00777 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113085
(US8633206, 3)Show SMILES CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C21H33N5O3S/c1-3-29-18-5-4-12-26(13-18)30(27,28)14-16-6-8-17(9-7-16)25(2)21-19-10-11-22-20(19)23-15-24-21/h10-11,15-18H,3-9,12-14H2,1-2H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 31.7 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113095
(US8633206, 13)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,13.13,15.15,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5,;5.33,4.24,;6.67,5.01,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C19H29N5O4S/c1-23(19-15-6-8-20-18(15)21-12-22-19)14-4-2-13(3-5-14)11-29(27,28)24-9-7-16(25)17(26)10-24/h6,8,12-14,16-17,25-26H,2-5,7,9-11H2,1H3,(H,20,21,22)/t13-,14-,16-,17+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113166
(US8633206, 84)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(COc3cccc(F)c3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-2.71,;5.5,-3.48,;4.17,-2.71,;4.17,-1.17,;2.84,-.4,;1.5,-1.17,;.17,-.4,;-1.16,-1.17,;-1.16,-2.71,;.17,-1.94,;-2.5,-.4,;-2.48,1.14,;-3.95,1.62,;-4.85,.37,;-5.62,-.96,;-5.94,1.46,;-5.54,2.95,;-6.63,4.04,;-8.12,3.64,;-9.21,4.73,;-8.81,6.21,;-7.32,6.61,;-6.92,8.1,;-6.23,5.52,;-3.95,-.88,;1.5,-2.71,;2.84,-3.48,;5.5,-5.02,;4.17,-5.79,;4.17,-7.33,;5.5,-8.1,;6.84,-7.33,;8.3,-7.81,;9.21,-6.56,;8.3,-5.31,;6.84,-5.79,)| Show InChI InChI=1S/C25H32FN5O4S/c1-30(24-22-9-11-27-23(22)28-17-29-24)20-7-5-18(6-8-20)14-36(33,34)31-12-10-25(32,15-31)16-35-21-4-2-3-19(26)13-21/h2-4,9,11,13,17-18,20,32H,5-8,10,12,14-16H2,1H3,(H,27,28,29)/t18-,20-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113188
(US8633206, 106)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H]2Cc2cccc(C)n2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.15,wD:2.1,(6.64,.53,;5.3,-.24,;3.97,.53,;3.97,2.07,;2.64,2.84,;1.3,2.07,;-.03,2.84,;-1.36,2.07,;-1.36,.53,;-.03,1.3,;-2.7,2.84,;-2.68,4.38,;-4.15,4.86,;-5.05,3.61,;-4.15,2.37,;-4.54,.88,;-6.03,.48,;-7.12,1.57,;-8.61,1.17,;-9.01,-.32,;-7.92,-1.41,;-8.32,-2.89,;-6.43,-1.01,;1.3,.53,;2.64,-.24,;5.3,-1.78,;3.97,-2.55,;3.97,-4.09,;5.3,-4.86,;6.64,-4.09,;8.1,-4.56,;9.01,-3.32,;8.1,-2.07,;6.64,-2.55,)| Show InChI InChI=1S/C25H34N6O2S/c1-18-5-3-6-20(29-18)15-22-7-4-14-31(22)34(32,33)16-19-8-10-21(11-9-19)30(2)25-23-12-13-26-24(23)27-17-28-25/h3,5-6,12-13,17,19,21-22H,4,7-11,14-16H2,1-2H3,(H,26,27,28)/t19-,21-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113191
(US8633206, 109)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(4.43,.8,;3.09,.03,;1.76,.8,;1.76,2.34,;.43,3.11,;-.91,2.34,;-2.24,3.11,;-3.58,2.34,;-3.58,.8,;-2.24,1.57,;-4.91,3.11,;-5.31,4.59,;-6.8,4.2,;-6.4,2.71,;-.91,.8,;.43,.03,;3.09,-1.51,;1.76,-2.28,;1.76,-3.82,;3.09,-4.59,;4.43,-3.82,;5.89,-4.3,;6.8,-3.05,;5.89,-1.81,;4.43,-2.28,)| Show InChI InChI=1S/C17H25N5O2S/c1-21(17-15-7-8-18-16(15)19-12-20-17)14-5-3-13(4-6-14)11-25(23,24)22-9-2-10-22/h7-8,12-14H,2-6,9-11H2,1H3,(H,18,19,20)/t13-,14- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 289 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113205
(US8633206, 123)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(Cc3ccccn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-1.93,;4.82,-2.69,;3.48,-1.93,;3.48,-.38,;2.15,.38,;.82,-.38,;-.52,.38,;-1.85,-.38,;-1.85,-1.93,;-.52,-1.15,;-3.19,.38,;-3.19,1.93,;-4.52,2.7,;-5.85,1.93,;-7.19,2.69,;-7.19,4.23,;-8.52,5,;-8.52,6.54,;-7.19,7.31,;-5.85,6.54,;-5.85,5,;-5.85,.38,;-4.52,-.38,;.82,-1.93,;2.15,-2.69,;4.82,-4.23,;3.48,-5,;3.48,-6.54,;4.82,-7.31,;6.15,-6.54,;7.61,-7.02,;8.52,-5.78,;7.61,-4.53,;6.15,-5,)| Show InChI InChI=1S/C24H33N7O2S/c1-29(24-22-9-11-26-23(22)27-18-28-24)21-7-5-19(6-8-21)17-34(32,33)31-14-12-30(13-15-31)16-20-4-2-3-10-25-20/h2-4,9-11,18-19,21H,5-8,12-17H2,1H3,(H,26,27,28)/t19-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 323 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113090
(US8633206, 8)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CN3CCCC3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.29,.38,;-5.96,-.39,;-4.62,.38,;-4.62,1.92,;-3.29,2.69,;-1.96,1.92,;-.62,2.7,;.71,1.93,;-.06,.59,;1.48,.59,;2.04,2.7,;2.04,4.24,;3.38,5.01,;4.71,4.24,;4.71,2.7,;6.05,1.93,;6.05,.39,;4.8,-.52,;5.28,-1.98,;6.82,-1.98,;7.29,-.52,;3.38,1.93,;-1.96,.38,;-3.29,-.38,;-5.96,-1.93,;-7.29,-2.7,;-7.29,-4.24,;-5.96,-5.01,;-4.62,-4.24,;-3.16,-4.71,;-2.25,-3.47,;-3.16,-2.22,;-4.62,-2.7,)| Show InChI InChI=1S/C24H38N6O2S/c1-28(24-22-10-11-25-23(22)26-18-27-24)21-8-6-19(7-9-21)17-33(31,32)30-14-4-5-20(16-30)15-29-12-2-3-13-29/h10-11,18-21H,2-9,12-17H2,1H3,(H,25,26,27)/t19-,20?,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3.28E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113093
(US8633206, 11)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(N)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;4,1.93,;5.33,2.7,;5.33,4.24,;6.67,5.01,;4,5,;2.67,4.24,;-1.33,.38,;-2.67,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C19H30N6O2S/c1-24(19-17-6-9-21-18(17)22-13-23-19)16-4-2-14(3-5-16)12-28(26,27)25-10-7-15(20)8-11-25/h6,9,13-16H,2-5,7-8,10-12,20H2,1H3,(H,21,22,23)/t14-,16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.27E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113096
(US8633206, 14)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,14.14,(-6.67,.38,;-5.33,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-1.33,1.92,;,2.7,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;5.33,2.7,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-28(26,27)24-10-2-3-16(25)11-24/h8-9,13-16,25H,2-7,10-12H2,1H3,(H,20,21,22)/t14-,15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113100
(US8633206, 18)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)c2nnc(C)o2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.62,.38,;-7.29,-.39,;-5.96,.38,;-5.96,1.92,;-4.62,2.69,;-3.29,1.92,;-1.95,2.7,;-.62,1.93,;-1.39,.59,;.15,.59,;.71,2.7,;.71,4.24,;2.05,5.01,;3.38,4.24,;3.38,2.7,;2.05,1.93,;4.71,1.93,;4.71,.39,;6.18,-.09,;7.08,1.16,;8.62,1.16,;6.18,2.4,;-3.29,.38,;-4.62,-.38,;-7.29,-1.93,;-8.62,-2.7,;-8.62,-4.24,;-7.29,-5.01,;-5.96,-4.24,;-4.49,-4.71,;-3.59,-3.47,;-4.49,-2.22,;-5.96,-2.7,)| Show InChI InChI=1S/C22H31N7O3S/c1-15-26-27-22(32-15)17-4-3-11-29(12-17)33(30,31)13-16-5-7-18(8-6-16)28(2)21-19-9-10-23-20(19)24-14-25-21/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,23,24,25)/t16-,17?,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113134
(US8633206, 52)Show SMILES CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:17.17,wD:20.24,(-5.85,6.93,;-5.85,5.39,;-7.19,4.62,;-8.52,5.39,;-8.52,6.93,;-7.19,3.08,;-8.52,2.31,;-5.85,2.31,;-4.52,3.08,;-3.19,2.31,;-3.19,.77,;-4.52,,;-5.85,.77,;-1.85,,;-1.85,-1.54,;-.52,-.77,;-.52,.77,;.82,,;2.15,.77,;3.48,,;3.48,-1.54,;2.15,-2.31,;.82,-1.54,;4.82,-2.31,;6.15,-1.54,;4.82,-3.85,;3.48,-4.62,;3.48,-6.16,;4.82,-6.93,;6.15,-6.16,;7.61,-6.64,;8.52,-5.39,;7.61,-4.14,;6.15,-4.62,)| Show InChI InChI=1S/C24H38N6O3S/c1-4-29(5-2)24(31)19-11-14-30(15-12-19)34(32,33)16-18-6-8-20(9-7-18)28(3)23-21-10-13-25-22(21)26-17-27-23/h10,13,17-20H,4-9,11-12,14-16H2,1-3H3,(H,25,26,27)/t18-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113137
(US8633206, 55)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC(N)=O)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-.77,;4.82,-1.54,;3.48,-.77,;3.48,.77,;2.15,1.54,;.82,.77,;-.52,1.54,;-1.85,.77,;-1.85,-.77,;-.52,,;-3.19,1.54,;-3.19,3.08,;-4.52,3.85,;-5.85,3.08,;-7.19,3.85,;-7.19,5.39,;-5.85,6.16,;-8.52,6.16,;-5.85,1.54,;-4.52,.77,;.82,-.77,;2.15,-1.54,;4.82,-3.08,;3.48,-3.85,;3.48,-5.39,;4.82,-6.16,;6.15,-5.39,;7.61,-5.87,;8.52,-4.62,;7.61,-3.37,;6.15,-3.85,)| Show InChI InChI=1S/C21H32N6O3S/c1-26(21-18-6-9-23-20(18)24-14-25-21)17-4-2-16(3-5-17)13-31(29,30)27-10-7-15(8-11-27)12-19(22)28/h6,9,14-17H,2-5,7-8,10-13H2,1H3,(H2,22,28)(H,23,24,25)/t16-,17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 681 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113140
(US8633206, 58)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,(5.48,.38,;4.15,-.38,;2.82,.38,;2.82,1.93,;1.48,2.69,;.15,1.93,;-1.18,2.69,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-3.85,2.69,;-3.85,4.23,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,;-5.19,1.93,;.15,.38,;1.48,-.38,;4.15,-1.93,;2.82,-2.69,;2.82,-4.23,;4.15,-5,;5.48,-4.23,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.69,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-28(26,27)24-10-2-3-16(25)11-24/h8-9,13-16,25H,2-7,10-12H2,1H3,(H,20,21,22)/t14-,15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM113147
(US8633206, 65)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@](C)(O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.14,wD:2.1,14.15,(5.48,.38,;4.15,-.38,;2.82,.38,;2.82,1.93,;1.48,2.69,;.15,1.93,;-1.18,2.69,;-2.52,1.93,;-2.52,.38,;-1.18,1.15,;-3.85,2.69,;-3.85,4.23,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-6.52,1.15,;-7.85,3.47,;-5.19,1.93,;.15,.38,;1.48,-.38,;4.15,-1.93,;2.82,-2.69,;2.82,-4.23,;4.15,-5,;5.48,-4.23,;6.95,-4.71,;7.85,-3.47,;6.95,-2.22,;5.48,-2.69,)| Show InChI InChI=1S/C20H31N5O3S/c1-20(26)9-3-11-25(13-20)29(27,28)12-15-4-6-16(7-5-15)24(2)19-17-8-10-21-18(17)22-14-23-19/h8,10,14-16,26H,3-7,9,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 431 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Pfizer Inc.
US Patent
| Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction... |
US Patent US8633206 (2014)
BindingDB Entry DOI: 10.7270/Q2ZS2V44 |
More data for this
Ligand-Target Pair | |
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