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)) | BDBM113084
(US8633206, 2)Show SMILES CN(C1CC[C@H](CS(=O)(=O)N2CCC(CO)CC2)CC1)c1ncnc2[nH]ccc12 |r,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.69,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.69,;3.33,1.93,;4.67,2.69,;4.67,4.23,;6,5,;7.34,4.23,;3.33,5.01,;2,4.23,;-2,.38,;-3.33,-.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/C20H31N5O3S/c1-24(20-18-6-9-21-19(18)22-14-23-20)17-4-2-16(3-5-17)13-29(27,28)25-10-7-15(12-26)8-11-25/h6,9,14-17,26H,2-5,7-8,10-13H2,1H3,(H,21,22,23)/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 | 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)) | BDBM113087
(US8633206, 5)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(C)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.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/C21H31N5O3S/c1-15(27)17-4-3-11-26(12-17)30(28,29)13-16-5-7-18(8-6-16)25(2)21-19-9-10-22-20(19)23-14-24-21/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,22,23,24)/t16-,17?,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 | 339 | 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)) | BDBM113117
(US8633206, 35)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CC#N)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.39,.53,;-6.06,-.24,;-4.73,.53,;-3.39,-.24,;-2.06,.53,;-2.06,2.07,;-.72,2.84,;.61,2.07,;-.16,.74,;1.38,.74,;1.94,2.84,;1.94,4.38,;3.41,4.86,;4.31,3.61,;5.85,3.61,;6.62,2.28,;7.39,.94,;3.41,2.37,;-3.39,2.84,;-4.73,2.07,;-6.06,-1.78,;-7.39,-2.55,;-7.39,-4.09,;-6.06,-4.86,;-4.73,-4.09,;-3.26,-4.56,;-2.36,-3.32,;-3.26,-2.07,;-4.73,-2.55,)| Show InChI InChI=1S/C20H28N6O2S/c1-25(20-18-7-10-22-19(18)23-14-24-20)17-4-2-16(3-5-17)13-29(27,28)26-11-8-15(12-26)6-9-21/h7,10,14-17H,2-6,8,11-13H2,1H3,(H,22,23,24)/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 | 447 | 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)) | BDBM113121
(US8633206, 39)Show SMILES CN([C@@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,5.5,14.16,(6.15,.38,;4.82,-.39,;3.48,.38,;3.48,1.92,;2.15,2.69,;.82,1.92,;-.52,2.7,;-1.85,1.93,;-1.85,.39,;-.52,1.16,;-3.19,2.7,;-3.19,4.24,;-4.52,5.01,;-5.85,4.24,;-5.85,2.7,;-4.52,1.93,;-7.19,1.93,;-8.52,1.16,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.7,;3.48,-4.24,;4.82,-5.01,;6.15,-4.24,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.7,)| Show InChI InChI=1S/C20H28N6O2S/c1-25(20-18-8-9-22-19(18)23-14-24-20)17-6-4-15(5-7-17)13-29(27,28)26-10-2-3-16(11-21)12-26/h8-9,14-17H,2-7,10,12-13H2,1H3,(H,22,23,24)/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 | 393 | 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)) | BDBM113125
(US8633206, 43)Show SMILES COCC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:16.20,(-8.52,6.16,;-7.19,5.39,;-7.19,3.85,;-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/C21H33N5O3S/c1-25(21-19-7-10-22-20(19)23-15-24-21)18-5-3-17(4-6-18)14-30(27,28)26-11-8-16(9-12-26)13-29-2/h7,10,15-18H,3-6,8-9,11-14H2,1-2H3,(H,22,23,24)/t17-,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 | 434 | 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)) | BDBM113127
(US8633206, 45)Show SMILES COCCC1(CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12)C(N)=O |r,wU:14.14,wD:17.21,(-8.52,-1.15,;-8.52,.38,;-7.19,1.15,;-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,;-4.52,5.78,;-7.19,5.78,)| Show InChI InChI=1S/C23H36N6O4S/c1-28(21-19-7-11-25-20(19)26-16-27-21)18-5-3-17(4-6-18)15-34(31,32)29-12-8-23(9-13-29,22(24)30)10-14-33-2/h7,11,16-18H,3-6,8-10,12-15H2,1-2H3,(H2,24,30)(H,25,26,27)/t17-,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 | 39.6 | 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 JAK3
(Homo sapiens (Human)) | BDBM113128
(US8633206, 46)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(Cc3ncccn3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-1.93,;4.82,-2.7,;3.48,-1.93,;3.48,-.39,;2.15,.38,;.82,-.39,;-.52,.38,;-1.85,-.38,;-1.85,-1.93,;-.52,-1.15,;-3.19,.38,;-3.19,1.93,;-4.52,2.69,;-5.85,1.93,;-7.19,2.7,;-7.19,4.24,;-5.85,5.01,;-5.85,6.55,;-7.19,7.32,;-8.52,6.55,;-8.52,5.01,;-5.85,.38,;-4.52,-.38,;.82,-1.93,;2.15,-2.69,;4.82,-4.24,;3.48,-5.01,;3.48,-6.55,;4.82,-7.32,;6.15,-6.55,;7.61,-7.02,;8.52,-5.78,;7.61,-4.53,;6.15,-5.01,)| Show InChI InChI=1S/C24H33N7O2S/c1-30(24-21-7-12-27-23(21)28-17-29-24)20-5-3-19(4-6-20)16-34(32,33)31-13-8-18(9-14-31)15-22-25-10-2-11-26-22/h2,7,10-12,17-20H,3-6,8-9,13-16H2,1H3,(H,27,28,29)/t19-,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 | 167 | 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)) | BDBM113132
(US8633206, 50)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)c2nc(CS(C)(=O)=O)no2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(8.49,-1.33,;7.16,-2.1,;5.82,-1.33,;5.82,.21,;4.49,.98,;3.16,.21,;1.82,.98,;.49,.21,;.49,-1.33,;1.82,-.56,;-.85,.98,;-.85,2.52,;-2.18,3.29,;-3.51,2.52,;-3.51,.98,;-2.18,.21,;-4.85,3.29,;-6.31,2.81,;-7.22,4.06,;-8.76,4.06,;-9.53,5.39,;-8.76,6.72,;-10.86,6.16,;-10.86,4.62,;-6.31,5.3,;-4.85,4.83,;3.16,-1.33,;4.49,-2.1,;7.16,-3.64,;5.82,-4.41,;5.82,-5.95,;7.16,-6.72,;8.49,-5.95,;9.95,-6.43,;10.86,-5.18,;9.95,-3.94,;8.49,-4.41,)| Show InChI InChI=1S/C23H33N7O5S2/c1-29(22-19-7-10-24-21(19)25-15-26-22)18-5-3-16(4-6-18)13-37(33,34)30-11-8-17(9-12-30)23-27-20(28-35-23)14-36(2,31)32/h7,10,15-18H,3-6,8-9,11-14H2,1-2H3,(H,24,25,26)/t16-,18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 581 | 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)) | BDBM113141
(US8633206, 59)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C(N)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.16,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,;-4.52,1.93,;-7.19,1.93,;-8.52,2.7,;-7.19,.39,;.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/C20H30N6O3S/c1-25(20-17-8-9-22-19(17)23-13-24-20)16-6-4-14(5-7-16)12-30(28,29)26-10-2-3-15(11-26)18(21)27/h8-9,13-16H,2-7,10-12H2,1H3,(H2,21,27)(H,22,23,24)/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 | 222 | 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)) | BDBM113153
(US8633206, 71)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](O)[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,12.12,14.14,wD:2.1,(5.43,-.13,;4.1,-.9,;2.76,-.13,;2.76,1.41,;1.43,2.18,;.09,1.41,;-1.24,2.18,;-2.57,1.41,;-2.57,-.13,;-1.24,.64,;-3.91,2.18,;-3.89,3.72,;-5.35,4.19,;-6.12,5.52,;-6.26,2.95,;-7.8,2.95,;-5.35,1.7,;.09,-.13,;1.43,-.9,;4.1,-2.44,;2.76,-3.21,;2.76,-4.75,;4.1,-5.52,;5.43,-4.75,;6.89,-5.23,;7.8,-3.98,;6.89,-2.74,;5.43,-3.21,)| Show InChI InChI=1S/C18H27N5O4S/c1-22(18-14-6-7-19-17(14)20-11-21-18)13-4-2-12(3-5-13)10-28(26,27)23-8-15(24)16(25)9-23/h6-7,11-13,15-16,24-25H,2-5,8-10H2,1H3,(H,19,20,21)/t12-,13-,15-,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 | 80.8 | 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 JAK3
(Homo sapiens (Human)) | BDBM113157
(US8633206, 75)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)C(F)(F)F)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.09,.53,;5.76,-.24,;4.42,.53,;4.42,2.07,;3.09,2.84,;1.76,2.07,;.42,2.84,;-.91,2.07,;-.91,.53,;.42,1.3,;-2.25,2.84,;-2.23,4.38,;-3.69,4.86,;-4.6,3.61,;-3.69,2.37,;-6.09,3.21,;-6.48,1.73,;-5.4,.64,;-7.97,1.33,;-8.37,-.16,;-9.06,2.42,;-9.46,.93,;1.76,.53,;3.09,-.24,;5.76,-1.78,;4.42,-2.55,;4.42,-4.09,;5.76,-4.86,;7.09,-4.09,;8.55,-4.56,;9.46,-3.32,;8.55,-2.07,;7.09,-2.55,)| Show InChI InChI=1S/C20H27F3N6O3S/c1-28(18-16-6-8-24-17(16)25-12-26-18)15-4-2-13(3-5-15)11-33(31,32)29-9-7-14(10-29)27-19(30)20(21,22)23/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,27,30)(H,24,25,26)/t13-,14-,15-/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 | 399 | 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)) | BDBM113189
(US8633206, 107)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)| Show InChI InChI=1S/C23H30N6O2S/c1-28(23-20-9-12-25-22(20)26-16-27-23)19-7-5-17(6-8-19)15-32(30,31)29-13-10-18(14-29)21-4-2-3-11-24-21/h2-4,9,11-12,16-19H,5-8,10,13-15H2,1H3,(H,25,26,27)/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 | 36.3 | 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)) | 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 | 813 | 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)) | 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 | 42.9 | 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 JAK3
(Homo sapiens (Human)) | BDBM113213
(US8633206, 132)Show SMILES C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-15(12-29(27,28)25-8-6-16(10-25)11-26)3-4-18(14)24(2)20-17-5-7-21-19(17)22-13-23-20/h5,7,13-16,18,26H,3-4,6,8-12H2,1-2H3,(H,21,22,23)/t14-,15+,16-,18+/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 | 51.2 | 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)) | 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)) | BDBM113110
(US8633206, 28)Show SMILES CCOCCO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:6.5,wD:15.15,(8.08,-2.2,;8.08,-.66,;6.6,-.27,;6.6,1.27,;5.11,1.67,;5.11,3.21,;3.62,3.61,;2.72,4.86,;1.25,4.38,;1.25,2.84,;2.72,2.37,;-.08,2.07,;-.85,.74,;.69,.74,;-1.42,2.84,;-2.75,2.07,;-4.08,2.84,;-5.42,2.07,;-5.42,.53,;-4.08,-.24,;-2.75,.53,;-6.75,-.24,;-8.08,.53,;-6.75,-1.78,;-8.08,-2.55,;-8.08,-4.09,;-6.75,-4.86,;-5.42,-4.09,;-3.95,-4.56,;-3.05,-3.32,;-3.95,-2.07,;-5.42,-2.55,)| Show InChI InChI=1S/C22H35N5O4S/c1-3-30-12-13-31-19-9-11-27(14-19)32(28,29)15-17-4-6-18(7-5-17)26(2)22-20-8-10-23-21(20)24-16-25-22/h8,10,16-19H,3-7,9,11-15H2,1-2H3,(H,23,24,25)/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 | 16.8 | 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 JAK2
(Homo sapiens (Human)) | BDBM113111
(US8633206, 29)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@H](O)[C@@H](C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,12.12,(-6.94,-1.47,;-5.61,-2.24,;-4.27,-1.47,;-4.27,.07,;-2.94,.84,;-1.61,.07,;-.27,.84,;1.06,.07,;.29,-1.26,;1.83,-1.26,;2.4,.84,;3.86,.37,;4.77,1.61,;6.25,1.21,;3.86,2.86,;2.4,2.38,;4.63,4.19,;6.17,4.19,;6.94,5.52,;6.17,6.86,;4.63,6.86,;3.86,5.52,;-1.61,-1.47,;-2.94,-2.24,;-5.61,-3.78,;-6.94,-4.55,;-6.94,-6.09,;-5.61,-6.86,;-4.27,-6.09,;-2.81,-6.56,;-1.9,-5.32,;-2.81,-4.07,;-4.27,-4.55,)| Show InChI InChI=1S/C24H31N5O3S/c1-28(24-20-11-12-25-23(20)26-16-27-24)19-9-7-17(8-10-19)15-33(31,32)29-13-21(22(30)14-29)18-5-3-2-4-6-18/h2-6,11-12,16-17,19,21-22,30H,7-10,13-15H2,1H3,(H,25,26,27)/t17-,19-,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 | 15 | 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)) | BDBM113113
(US8633206, 31)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-6-8-20-18(17)21-13-22-19)16-4-2-14(3-5-16)12-28(26,27)24-9-7-15(10-24)11-25/h6,8,13-16,25H,2-5,7,9-12H2,1H3,(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 | 14.4 | 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)) | BDBM113131
(US8633206, 49)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CS(=O)(=O)CC3CC3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.54,-2.21,;5.2,-2.98,;3.87,-2.21,;3.87,-.67,;2.53,.1,;1.2,-.67,;-.13,.1,;-1.47,-.67,;-1.47,-2.21,;-.13,-1.44,;-2.8,.1,;-2.8,1.64,;-4.13,2.41,;-5.47,1.64,;-6.8,2.41,;-6.8,3.95,;-5.47,4.72,;-5.47,3.18,;-8.14,4.72,;-8.14,6.26,;-7.37,7.6,;-8.91,7.6,;-5.47,.1,;-4.13,-.67,;1.2,-2.21,;2.53,-2.98,;5.2,-4.52,;3.87,-5.29,;3.87,-6.83,;5.2,-7.6,;6.54,-6.83,;8,-7.3,;8.91,-6.06,;8,-4.81,;6.54,-5.29,)| Show InChI InChI=1S/C24H37N5O4S2/c1-28(24-22-8-11-25-23(22)26-17-27-24)21-6-4-19(5-7-21)16-35(32,33)29-12-9-20(10-13-29)15-34(30,31)14-18-2-3-18/h8,11,17-21H,2-7,9-10,12-16H2,1H3,(H,25,26,27)/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 | 88.6 | 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)) | BDBM113161
(US8633206, 79)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,16.17,12.13,wD:2.1,12.12,16.16,(5.5,-.01,;4.16,-.78,;2.83,-.01,;2.83,1.53,;1.49,2.3,;.16,1.53,;-1.17,2.3,;-2.51,1.53,;-2.51,-.01,;-1.17,.76,;-3.84,2.3,;-5.29,1.82,;-6.19,3.07,;-6.82,4.06,;-6.96,1.73,;-6.19,.4,;-5.29,4.31,;-4.2,5.4,;-6.78,4.71,;-7.87,3.62,;-3.82,3.84,;.16,-.01,;1.49,-.78,;4.16,-2.32,;2.83,-3.09,;2.83,-4.63,;4.16,-5.4,;5.5,-4.63,;6.96,-5.11,;7.87,-3.86,;6.96,-2.62,;5.5,-3.09,)| Show InChI InChI=1S/C22H35N5O4S/c1-21(13-28)11-27(12-22(21,2)14-29)32(30,31)10-16-4-6-17(7-5-16)26(3)20-18-8-9-23-19(18)24-15-25-20/h8-9,15-17,28-29H,4-7,10-14H2,1-3H3,(H,23,24,25)/t16-,17-,21-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 55.6 | 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)) | BDBM113168
(US8633206, 86)Show SMILES C[C@H]1CCCN1S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:10.10,1.0,wD:13.17,(-6.89,1.03,;-6.12,2.37,;-7.03,3.61,;-6.12,4.86,;-4.66,4.38,;-4.68,2.84,;-3.34,2.07,;-3.34,.53,;-2.01,1.3,;-2.01,2.84,;-.68,2.07,;.66,2.84,;1.99,2.07,;1.99,.53,;.66,-.24,;-.68,.53,;3.33,-.24,;4.66,.53,;3.33,-1.78,;1.99,-2.55,;1.99,-4.09,;3.33,-4.86,;4.66,-4.09,;6.12,-4.56,;7.03,-3.32,;6.12,-2.07,;4.66,-2.55,)| Show InChI InChI=1S/C19H29N5O2S/c1-14-4-3-11-24(14)27(25,26)12-15-5-7-16(8-6-15)23(2)19-17-9-10-20-18(17)21-13-22-19/h9-10,13-16H,3-8,11-12H2,1-2H3,(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 | 42.8 | 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 JAK2
(Homo sapiens (Human)) | BDBM113169
(US8633206, 87)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ncccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)| Show InChI InChI=1S/C22H29N7O2S/c1-28(22-19-7-11-25-21(19)26-15-27-22)18-5-3-16(4-6-18)14-32(30,31)29-12-8-17(13-29)20-23-9-2-10-24-20/h2,7,9-11,15-18H,3-6,8,12-14H2,1H3,(H,25,26,27)/t16-,17-,18-/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 | 5.72 | 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)) | BDBM113170
(US8633206, 88)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)Oc2ccccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.15,(6.64,-2.24,;5.3,-3.01,;3.97,-2.24,;3.97,-.7,;2.64,.07,;1.3,-.7,;-.03,.07,;-1.36,-.7,;-1.36,-2.24,;-.03,-1.47,;-2.7,.07,;-4.15,-.41,;-5.05,.84,;-4.15,2.08,;-2.68,1.61,;-4.54,3.57,;-6.03,3.97,;-7.12,2.88,;-8.61,3.28,;-9.01,4.77,;-7.92,5.85,;-6.43,5.46,;-5.34,6.54,;-4.25,7.63,;1.3,-2.24,;2.64,-3.01,;5.3,-4.55,;3.97,-5.32,;3.97,-6.86,;5.3,-7.63,;6.64,-6.86,;8.1,-7.34,;9.01,-6.09,;8.1,-4.85,;6.64,-5.32,)| Show InChI InChI=1S/C25H30N6O3S/c1-30(25-22-10-12-27-24(22)28-17-29-25)20-8-6-18(7-9-20)16-35(32,33)31-13-11-21(15-31)34-23-5-3-2-4-19(23)14-26/h2-5,10,12,17-18,20-21H,6-9,11,13,15-16H2,1H3,(H,27,28,29)/t18-,20-,21-/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 | 23.4 | 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)) | BDBM113195
(US8633206, 113)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2nnn[nH]2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.28,-.4,;4.94,-1.17,;3.61,-.4,;3.61,1.14,;2.28,1.91,;.94,1.14,;-.39,1.91,;-1.72,1.14,;-1.72,-.4,;-.39,.37,;-3.06,1.91,;-3.46,3.4,;-4.94,3,;-4.55,1.51,;-6.28,3.77,;-7.74,3.3,;-8.65,4.54,;-7.74,5.79,;-6.28,5.31,;.94,-.4,;2.28,-1.17,;4.94,-2.71,;3.61,-3.48,;3.61,-5.02,;4.94,-5.79,;6.28,-5.02,;7.74,-5.49,;8.65,-4.25,;7.74,-3,;6.28,-3.48,)| Show InChI InChI=1S/C18H25N9O2S/c1-26(18-15-6-7-19-17(15)20-11-21-18)14-4-2-12(3-5-14)10-30(28,29)27-8-13(9-27)16-22-24-25-23-16/h6-7,11-14H,2-5,8-10H2,1H3,(H,19,20,21)(H,22,23,24,25)/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 | 9.99 | 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)) | BDBM113199
(US8633206, 117)Show SMILES COC(=O)NC1CN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,wD:16.20,(-8.13,6.7,;-8.13,5.16,;-6.8,4.39,;-5.46,5.16,;-6.8,2.85,;-5.46,2.08,;-3.97,2.48,;-3.58,1,;-5.06,.6,;-2.24,.23,;-2.24,-1.31,;-.91,-.54,;-.91,1,;.43,.23,;1.76,1,;3.09,.23,;3.09,-1.31,;1.76,-2.08,;.43,-1.31,;4.43,-2.08,;5.76,-1.31,;4.43,-3.62,;3.09,-4.39,;3.09,-5.93,;4.43,-6.7,;5.76,-5.93,;7.22,-6.41,;8.13,-5.16,;7.22,-3.92,;5.76,-4.39,)| Show InChI InChI=1S/C19H28N6O4S/c1-24(18-16-7-8-20-17(16)21-12-22-18)15-5-3-13(4-6-15)11-30(27,28)25-9-14(10-25)23-19(26)29-2/h7-8,12-15H,3-6,9-11H2,1-2H3,(H,23,26)(H,20,21,22)/t13-,15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 32.4 | 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)) | 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 | 0.0165 | 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)) | 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 | 42.3 | 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)) | 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 | 9.75 | 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)) | BDBM113103
(US8633206, 21)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(Cc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-3.33,1.92,;-2,2.69,;-.67,1.93,;-1.44,.59,;.1,.59,;.67,2.7,;.67,4.24,;2,5,;3.33,4.24,;3.33,2.7,;4.67,1.93,;6,2.7,;6,4.24,;7.34,5.01,;8.67,4.24,;8.67,2.7,;7.34,1.93,;2,1.93,;-3.33,.38,;-4.67,-.39,;-7.34,-1.93,;-8.67,-2.7,;-8.67,-4.24,;-7.34,-5.01,;-6,-4.24,;-4.54,-4.71,;-3.63,-3.47,;-4.54,-2.22,;-6,-2.7,)| Show InChI InChI=1S/C25H34N6O2S/c1-30(25-23-11-13-27-24(23)28-18-29-25)22-9-7-19(8-10-22)17-34(32,33)31-14-4-5-20(16-31)15-21-6-2-3-12-26-21/h2-3,6,11-13,18-20,22H,4-5,7-10,14-17H2,1H3,(H,27,28,29)/t19-,20?,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11.3 | 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)) | BDBM113104
(US8633206, 22)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,wD:5.5,15.15,13.13,(-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+/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 | 11.5 | 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)) | BDBM113107
(US8633206, 25)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.13,(-6.66,.81,;-5.32,.04,;-3.99,.81,;-3.99,2.35,;-2.66,3.12,;-1.32,2.35,;.01,3.12,;1.34,2.35,;.57,1.01,;2.11,1.01,;2.68,3.12,;3.15,4.58,;4.69,4.58,;5.17,3.12,;6.66,2.72,;3.92,2.21,;-1.32,.81,;-2.66,.04,;-5.32,-1.5,;-6.66,-2.27,;-6.66,-3.81,;-5.32,-4.58,;-3.99,-3.81,;-2.53,-4.29,;-1.62,-3.04,;-2.53,-1.8,;-3.99,-2.27,)| 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-/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 | 13.3 | 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)) | BDBM113111
(US8633206, 29)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@@H](O)[C@@H](C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.16,wD:5.5,12.12,(-6.94,-1.47,;-5.61,-2.24,;-4.27,-1.47,;-4.27,.07,;-2.94,.84,;-1.61,.07,;-.27,.84,;1.06,.07,;.29,-1.26,;1.83,-1.26,;2.4,.84,;3.86,.37,;4.77,1.61,;6.25,1.21,;3.86,2.86,;2.4,2.38,;4.63,4.19,;6.17,4.19,;6.94,5.52,;6.17,6.86,;4.63,6.86,;3.86,5.52,;-1.61,-1.47,;-2.94,-2.24,;-5.61,-3.78,;-6.94,-4.55,;-6.94,-6.09,;-5.61,-6.86,;-4.27,-6.09,;-2.81,-6.56,;-1.9,-5.32,;-2.81,-4.07,;-4.27,-4.55,)| Show InChI InChI=1S/C24H31N5O3S/c1-28(24-20-11-12-25-23(20)26-16-27-24)19-9-7-17(8-10-19)15-33(31,32)29-13-21(22(30)14-29)18-5-3-2-4-6-18/h2-6,11-12,16-17,19,21-22,30H,7-10,13-15H2,1H3,(H,25,26,27)/t17-,19-,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 | 5.22 | 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 JAK1
(Homo sapiens (Human)) | BDBM113117
(US8633206, 35)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CC#N)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.39,.53,;-6.06,-.24,;-4.73,.53,;-3.39,-.24,;-2.06,.53,;-2.06,2.07,;-.72,2.84,;.61,2.07,;-.16,.74,;1.38,.74,;1.94,2.84,;1.94,4.38,;3.41,4.86,;4.31,3.61,;5.85,3.61,;6.62,2.28,;7.39,.94,;3.41,2.37,;-3.39,2.84,;-4.73,2.07,;-6.06,-1.78,;-7.39,-2.55,;-7.39,-4.09,;-6.06,-4.86,;-4.73,-4.09,;-3.26,-4.56,;-2.36,-3.32,;-3.26,-2.07,;-4.73,-2.55,)| Show InChI InChI=1S/C20H28N6O2S/c1-25(20-18-7-10-22-19(18)23-14-24-20)17-4-2-16(3-5-17)13-29(27,28)26-11-8-15(12-26)6-9-21/h7,10,14-17H,2-6,8,11-13H2,1H3,(H,22,23,24)/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 | 11.1 | 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)) | BDBM113136
(US8633206, 54)Show SMILES CNC(=O)C1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,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/C21H32N6O3S/c1-22-21(28)16-8-11-27(12-9-16)31(29,30)13-15-3-5-17(6-4-15)26(2)20-18-7-10-23-19(18)24-14-25-20/h7,10,14-17H,3-6,8-9,11-13H2,1-2H3,(H,22,28)(H,23,24,25)/t15-,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 | 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 JAK1
(Homo sapiens (Human)) | BDBM113138
(US8633206, 56)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(COCC3CC3)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.54,-2.21,;5.2,-2.98,;3.87,-2.21,;3.87,-.67,;2.53,.1,;1.2,-.67,;-.13,.1,;-1.47,-.67,;-1.47,-2.21,;-.13,-1.44,;-2.8,.1,;-2.8,1.64,;-4.13,2.41,;-5.47,1.64,;-6.8,2.41,;-6.8,3.95,;-8.14,4.72,;-8.14,6.26,;-7.37,7.6,;-8.91,7.6,;-5.47,.1,;-4.13,-.67,;1.2,-2.21,;2.53,-2.98,;5.2,-4.52,;3.87,-5.29,;3.87,-6.83,;5.2,-7.6,;6.54,-6.83,;8,-7.3,;8.91,-6.06,;8,-4.81,;6.54,-5.29,)| Show InChI InChI=1S/C24H37N5O3S/c1-28(24-22-8-11-25-23(22)26-17-27-24)21-6-4-20(5-7-21)16-33(30,31)29-12-9-19(10-13-29)15-32-14-18-2-3-18/h8,11,17-21H,2-7,9-10,12-16H2,1H3,(H,25,26,27)/t20-,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 | 4.07 | 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)) | 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 | 7.70 | 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)) | 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)) | BDBM113158
(US8633206, 76)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(C)(=O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.15,.53,;4.81,-.24,;3.48,.53,;3.48,2.07,;2.15,2.84,;.81,2.07,;-.52,2.84,;-1.86,2.07,;-1.86,.53,;-.52,1.3,;-3.19,2.84,;-3.17,4.38,;-4.64,4.86,;-5.54,3.61,;-4.64,2.37,;-7.03,3.21,;-7.43,1.73,;-8.12,4.3,;-8.52,2.81,;.81,.53,;2.15,-.24,;4.81,-1.78,;3.48,-2.55,;3.48,-4.09,;4.81,-4.86,;6.15,-4.09,;7.61,-4.56,;8.52,-3.32,;7.61,-2.07,;6.15,-2.55,)| Show InChI InChI=1S/C19H29N5O4S2/c1-23(19-17-7-9-20-18(17)21-13-22-19)15-5-3-14(4-6-15)12-30(27,28)24-10-8-16(11-24)29(2,25)26/h7,9,13-16H,3-6,8,10-12H2,1-2H3,(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 | 2.98 | 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)) | 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 | 7.34 | 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)) | BDBM113168
(US8633206, 86)Show SMILES C[C@H]1CCCN1S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:10.10,1.0,wD:13.17,(-6.89,1.03,;-6.12,2.37,;-7.03,3.61,;-6.12,4.86,;-4.66,4.38,;-4.68,2.84,;-3.34,2.07,;-3.34,.53,;-2.01,1.3,;-2.01,2.84,;-.68,2.07,;.66,2.84,;1.99,2.07,;1.99,.53,;.66,-.24,;-.68,.53,;3.33,-.24,;4.66,.53,;3.33,-1.78,;1.99,-2.55,;1.99,-4.09,;3.33,-4.86,;4.66,-4.09,;6.12,-4.56,;7.03,-3.32,;6.12,-2.07,;4.66,-2.55,)| Show InChI InChI=1S/C19H29N5O2S/c1-14-4-3-11-24(14)27(25,26)12-15-5-7-16(8-6-15)23(2)19-17-9-10-20-18(17)21-13-22-19/h9-10,13-16H,3-8,11-12H2,1-2H3,(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 | 6.47 | 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)) | 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 | 8.34 | 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)) | BDBM113193
(US8633206, 111)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2cccnc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.38,-.68,;5.05,-1.45,;3.71,-.68,;3.71,.86,;2.38,1.63,;1.05,.86,;-.29,1.63,;-1.62,.86,;-1.62,-.68,;-.29,.09,;-2.95,1.63,;-3.35,3.12,;-4.84,2.72,;-4.44,1.23,;-6.17,3.49,;-5.78,4.98,;-6.86,6.07,;-8.35,5.67,;-8.75,4.18,;-7.66,3.09,;1.05,-.68,;2.38,-1.45,;5.05,-2.99,;3.71,-3.76,;3.71,-5.3,;5.05,-6.07,;6.38,-5.3,;7.85,-5.77,;8.75,-4.53,;7.85,-3.28,;6.38,-3.76,)| Show InChI InChI=1S/C22H28N6O2S/c1-27(22-20-8-10-24-21(20)25-15-26-22)19-6-4-16(5-7-19)14-31(29,30)28-12-18(13-28)17-3-2-9-23-11-17/h2-3,8-11,15-16,18-19H,4-7,12-14H2,1H3,(H,24,25,26)/t16-,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 | 22.7 | 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)) | BDBM113201
(US8633206, 119)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ccc(C)c(C)n2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(7.48,-.77,;6.15,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;.82,1.54,;-.52,.77,;-.52,-.77,;.82,,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-5.85,3.85,;-5.85,5.39,;-7.19,6.16,;-8.52,5.39,;-9.85,6.16,;-8.52,3.85,;-9.85,3.08,;-7.19,3.08,;2.15,-.77,;3.48,-1.54,;6.15,-3.08,;4.82,-3.85,;4.82,-5.39,;6.15,-6.16,;7.48,-5.39,;8.95,-5.87,;9.85,-4.62,;8.95,-3.37,;7.48,-3.85,)| Show InChI InChI=1S/C25H35N7O2S/c1-18-4-9-23(29-19(18)2)31-12-14-32(15-13-31)35(33,34)16-20-5-7-21(8-6-20)30(3)25-22-10-11-26-24(22)27-17-28-25/h4,9-11,17,20-21H,5-8,12-16H2,1-3H3,(H,26,27,28)/t20-,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 | 6.48 | 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)) | 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 | 10.4 | 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 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 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)) | BDBM113184
(US8633206, 102)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Cc3cnccn3)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/C23H31N7O2S/c1-29(23-21-6-8-26-22(21)27-16-28-23)20-4-2-17(3-5-20)15-33(31,32)30-11-7-18(14-30)12-19-13-24-9-10-25-19/h6,8-10,13,16-18,20H,2-5,7,11-12,14-15H2,1H3,(H,26,27,28)/t17-,18-,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 | 283 | 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)) | BDBM113110
(US8633206, 28)Show SMILES CCOCCO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:6.5,wD:15.15,(8.08,-2.2,;8.08,-.66,;6.6,-.27,;6.6,1.27,;5.11,1.67,;5.11,3.21,;3.62,3.61,;2.72,4.86,;1.25,4.38,;1.25,2.84,;2.72,2.37,;-.08,2.07,;-.85,.74,;.69,.74,;-1.42,2.84,;-2.75,2.07,;-4.08,2.84,;-5.42,2.07,;-5.42,.53,;-4.08,-.24,;-2.75,.53,;-6.75,-.24,;-8.08,.53,;-6.75,-1.78,;-8.08,-2.55,;-8.08,-4.09,;-6.75,-4.86,;-5.42,-4.09,;-3.95,-4.56,;-3.05,-3.32,;-3.95,-2.07,;-5.42,-2.55,)| Show InChI InChI=1S/C22H35N5O4S/c1-3-30-12-13-31-19-9-11-27(14-19)32(28,29)15-17-4-6-18(7-5-17)26(2)22-20-8-10-23-21(20)24-16-25-22/h8,10,16-19H,3-7,9,11-15H2,1-2H3,(H,23,24,25)/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 | 249 | 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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