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)) | 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)) | BDBM113097
(US8633206, 15)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(COc3ccc(F)cc3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-10,.38,;-8.67,-.39,;-7.34,.38,;-7.34,1.92,;-6,2.69,;-4.67,1.92,;-3.33,2.7,;-2,1.93,;-2.77,.59,;-1.23,.59,;-.67,2.7,;-.67,4.24,;.67,5.01,;2,4.24,;2,2.7,;3.33,1.93,;4.67,2.7,;6,1.93,;6,.39,;7.34,-.38,;8.67,.39,;10,-.38,;8.67,1.93,;7.34,2.7,;.67,1.93,;-4.67,.38,;-6,-.38,;-8.67,-1.93,;-10,-2.7,;-10,-4.24,;-8.67,-5.01,;-7.34,-4.24,;-5.87,-4.71,;-4.97,-3.47,;-5.87,-2.22,;-7.34,-2.7,)| Show InChI InChI=1S/C26H34FN5O3S/c1-31(26-24-12-13-28-25(24)29-18-30-26)22-8-4-19(5-9-22)17-36(33,34)32-14-2-3-20(15-32)16-35-23-10-6-21(27)7-11-23/h6-7,10-13,18-20,22H,2-5,8-9,14-17H2,1H3,(H,28,29,30)/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 | 1.00E+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 JAK3
(Homo sapiens (Human)) | BDBM113101
(US8633206, 19)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(O)(COc3cccc(F)c3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-9.65,.38,;-8.31,-.39,;-6.98,.38,;-6.98,1.92,;-5.64,2.69,;-4.31,1.92,;-2.98,2.7,;-1.64,1.93,;-2.41,.59,;-.87,.59,;-.31,2.7,;-.31,4.24,;1.02,5.01,;2.36,4.24,;2.36,2.7,;2.36,1.16,;3.69,1.93,;5.03,2.7,;6.57,2.7,;7.34,4.03,;8.88,4.03,;9.65,2.7,;8.88,1.36,;9.65,.03,;7.34,1.36,;1.02,1.93,;-4.31,.38,;-5.64,-.38,;-8.31,-1.93,;-9.65,-2.7,;-9.65,-4.24,;-8.31,-5.01,;-6.98,-4.24,;-5.51,-4.71,;-4.61,-3.47,;-5.51,-2.22,;-6.98,-2.7,)| Show InChI InChI=1S/C26H34FN5O4S/c1-31(25-23-10-12-28-24(23)29-18-30-25)21-8-6-19(7-9-21)15-37(34,35)32-13-3-11-26(33,16-32)17-36-22-5-2-4-20(27)14-22/h2,4-5,10,12,14,18-19,21,33H,3,6-9,11,13,15-17H2,1H3,(H,28,29,30)/t19-,21-,26? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 492 | 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)) | 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 | 491 | 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)) | 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 | 673 | 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)) | BDBM113150
(US8633206, 68)Show SMILES CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,2.1,wD:14.18,(-7.52,5.8,;-6.03,5.4,;-5.63,3.91,;-6.54,2.67,;-5.63,1.42,;-4.19,1.9,;-4.17,3.44,;-2.85,1.13,;-2.85,-.41,;-1.52,.36,;-1.52,1.9,;-.18,1.13,;1.15,1.9,;2.48,1.13,;2.48,-.41,;1.15,-1.18,;-.18,-.41,;3.82,-1.18,;5.15,-.41,;3.82,-2.72,;2.48,-3.49,;2.48,-5.03,;3.82,-5.8,;5.15,-5.03,;6.61,-5.51,;7.52,-4.26,;6.61,-3.02,;5.15,-3.49,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-7-9-20-18(17)21-13-22-19)15-5-3-14(4-6-15)12-28(25,26)24-10-8-16(11-24)27-2/h7,9,13-16H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,16-/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 | 468 | 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)) | BDBM113165
(US8633206, 83)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)CCc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(8.52,-.82,;7.19,-1.59,;5.86,-.82,;5.86,.72,;4.52,1.49,;3.19,.72,;1.86,1.49,;.52,.72,;.52,-.82,;1.86,-.05,;-.81,1.49,;-.79,3.03,;-2.26,3.5,;-3.16,2.26,;-2.26,1.01,;-4.65,1.86,;-5.05,.37,;-6.14,1.46,;-5.74,2.95,;-7.23,2.55,;-8.32,3.64,;-7.92,5.12,;-9.01,6.21,;-10.5,5.82,;-10.89,4.33,;-9.81,3.24,;3.19,-.82,;4.52,-1.59,;7.19,-3.13,;5.86,-3.9,;5.86,-5.44,;7.19,-6.21,;8.52,-5.44,;9.99,-5.92,;10.89,-4.67,;9.99,-3.43,;8.52,-3.9,)| Show InChI InChI=1S/C26H35N5O4S2/c1-30(26-24-11-14-27-25(24)28-19-29-26)22-9-7-21(8-10-22)18-37(34,35)31-15-12-23(17-31)36(32,33)16-13-20-5-3-2-4-6-20/h2-6,11,14,19,21-23H,7-10,12-13,15-18H2,1H3,(H,27,28,29)/t21-,22-,23-/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 | 133 | 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)) | BDBM113172
(US8633206, 90)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(Cn3cccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(5.04,-1.36,;3.71,-2.13,;2.38,-1.36,;2.38,.18,;1.04,.95,;-.29,.18,;-1.62,.95,;-2.96,.18,;-2.96,-1.36,;-1.62,-.59,;-4.29,.95,;-4.27,2.49,;-5.74,2.96,;-6.64,1.72,;-7.41,.38,;-7.41,3.05,;-6.64,4.38,;-7.12,5.85,;-5.87,6.75,;-4.63,5.85,;-5.1,4.38,;-5.74,.47,;-.29,-1.36,;1.04,-2.13,;3.71,-3.67,;2.38,-4.44,;2.38,-5.98,;3.71,-6.75,;5.04,-5.98,;6.51,-6.46,;7.41,-5.21,;6.51,-3.97,;5.04,-4.44,)| Show InChI InChI=1S/C22H31N7O3S/c1-27(21-19-7-10-23-20(19)24-16-25-21)18-5-3-17(4-6-18)13-33(31,32)29-12-8-22(30,15-29)14-28-11-2-9-26-28/h2,7,9-11,16-18,30H,3-6,8,12-15H2,1H3,(H,23,24,25)/t17-,18-,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 | 82.3 | 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)) | BDBM113192
(US8633206, 110)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC(C2)c2ncccn2)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/C21H27N7O2S/c1-27(21-18-7-10-24-20(18)25-14-26-21)17-5-3-15(4-6-17)13-31(29,30)28-11-16(12-28)19-22-8-2-9-23-19/h2,7-10,14-17H,3-6,11-13H2,1H3,(H,24,25,26)/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 | 294 | 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 JAK3
(Homo sapiens (Human)) | BDBM113214
(US8633206, 133)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/C20H33N5O3S/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/h5,7,13-16,18,26,29H,3-4,6,8-12H2,1-2H3,(H,27,28)(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 | 0.0421 | 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)) | BDBM113217
(US8633206, 136)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H30N6O2S/c1-23-9-11-25(12-10-23)28(26,27)13-15-3-5-16(6-4-15)24(2)19-17-7-8-20-18(17)21-14-22-19/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,20,21,22)/t15-,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 | 1.29 | 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)) | 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 | 4.09 | 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)) | 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 | 15.2 | 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)) | 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 | 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)) | BDBM113108
(US8633206, 26)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)OC(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.15,(-9.1,.53,;-7.76,-.24,;-6.43,.53,;-6.43,2.07,;-5.1,2.84,;-3.76,2.07,;-2.43,2.84,;-1.09,2.07,;-1.86,.74,;-.32,.74,;.24,2.84,;.24,4.38,;1.7,4.86,;2.61,3.61,;1.7,2.37,;4.1,4.01,;5.19,2.92,;4.79,1.43,;6.67,3.32,;7.76,2.23,;7.76,.69,;9.1,3,;9.1,1.46,;-3.76,.53,;-5.1,-.24,;-7.76,-1.78,;-9.1,-2.55,;-9.1,-4.09,;-7.76,-4.86,;-6.43,-4.09,;-4.96,-4.56,;-4.06,-3.32,;-4.96,-2.07,;-6.43,-2.55,)| Show InChI InChI=1S/C23H36N6O4S/c1-23(2,3)33-22(30)27-17-10-12-29(13-17)34(31,32)14-16-5-7-18(8-6-16)28(4)21-19-9-11-24-20(19)25-15-26-21/h9,11,15-18H,5-8,10,12-14H2,1-4H3,(H,27,30)(H,24,25,26)/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 | 48.4 | 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)) | BDBM113123
(US8633206, 41)Show SMILES COC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,wD:15.19,(-7.85,5.78,;-7.85,4.24,;-6.52,3.47,;-5.19,4.23,;-3.85,3.47,;-3.85,1.93,;-5.19,1.15,;-6.52,1.93,;-2.52,1.15,;-2.52,-.38,;-1.18,.38,;-1.18,1.93,;.15,1.15,;1.48,1.92,;2.82,1.15,;2.82,-.39,;1.48,-1.15,;.15,-.39,;4.15,-1.16,;5.48,-.39,;4.15,-2.7,;2.82,-3.47,;2.82,-5.01,;4.15,-5.78,;5.48,-5.01,;6.95,-5.48,;7.85,-4.24,;6.95,-2.99,;5.48,-3.47,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-7-10-21-19(18)22-14-23-20)16-5-3-15(4-6-16)13-29(26,27)25-11-8-17(28-2)9-12-25/h7,10,14-17H,3-6,8-9,11-13H2,1-2H3,(H,21,22,23)/t15-,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 | 107 | 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)) | 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 | 65.8 | 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)) | 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 | 115 | 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)) | 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 | 44.9 | 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)) | 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 | 50.8 | 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)) | BDBM113152
(US8633206, 70)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(4.66,-.13,;3.33,-.9,;1.99,-.13,;1.99,1.41,;.66,2.18,;-.68,1.41,;-2.01,2.18,;-3.34,1.41,;-3.34,-.13,;-2.01,.64,;-4.68,2.18,;-6.12,1.7,;-7.03,2.95,;-6.12,4.19,;-6.89,5.52,;-4.66,3.72,;-.68,-.13,;.66,-.9,;3.33,-2.44,;1.99,-3.21,;1.99,-4.75,;3.33,-5.52,;4.66,-4.75,;6.12,-5.23,;7.03,-3.98,;6.12,-2.74,;4.66,-3.21,)| Show InChI InChI=1S/C18H26FN5O2S/c1-23(18-16-6-8-20-17(16)21-12-22-18)15-4-2-13(3-5-15)11-27(25,26)24-9-7-14(19)10-24/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,20,21,22)/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 | 36.4 | 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)) | 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 | 22.5 | 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)) | 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 | 27.2 | 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)) | 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)) | BDBM113173
(US8633206, 91)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@](O)(C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(6.49,-.68,;5.16,-1.45,;3.82,-.68,;3.82,.86,;2.49,1.63,;1.16,.86,;-.18,1.63,;-1.51,.86,;-1.51,-.68,;-.18,.09,;-2.84,1.63,;-2.83,3.17,;-4.29,3.65,;-5.2,2.4,;-5.97,1.07,;-4.29,1.16,;-6.29,3.49,;-5.89,4.98,;-6.98,6.07,;-8.46,5.67,;-8.86,4.18,;-7.77,3.09,;1.16,-.68,;2.49,-1.45,;5.16,-2.99,;3.82,-3.76,;3.82,-5.3,;5.16,-6.07,;6.49,-5.3,;7.96,-5.77,;8.86,-4.53,;7.96,-3.28,;6.49,-3.76,)| Show InChI InChI=1S/C24H31N5O3S/c1-28(23-21-11-13-25-22(21)26-17-27-23)20-9-7-18(8-10-20)15-33(31,32)29-14-12-24(30,16-29)19-5-3-2-4-6-19/h2-6,11,13,17-18,20,30H,7-10,12,14-16H2,1H3,(H,25,26,27)/t18-,20-,24-/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 JAK2
(Homo sapiens (Human)) | BDBM113176
(US8633206, 94)Show SMILES CCc1ccc(COC[C@H]2CCN(C2)S(=O)(=O)C[C@H]2CC[C@@H](CC2)N(C)c2ncnc3[nH]ccc23)nc1 |r,wU:18.18,9.8,wD:21.25,(-8.08,-5.28,;-9.17,-4.2,;-8.77,-2.71,;-9.86,-1.62,;-9.46,-.13,;-7.97,.27,;-7.57,1.75,;-6.09,2.15,;-5.69,3.64,;-4.2,4.04,;-3.3,5.28,;-1.83,4.81,;-1.85,3.27,;-3.3,2.79,;-.51,2.5,;-.51,.96,;.82,1.73,;.82,3.27,;2.15,2.5,;3.49,3.27,;4.82,2.5,;4.82,.96,;3.49,.19,;2.15,.96,;6.15,.19,;7.49,.96,;6.15,-1.35,;4.82,-2.12,;4.82,-3.66,;6.15,-4.43,;7.49,-3.66,;8.95,-4.14,;9.86,-2.89,;8.95,-1.65,;7.49,-2.12,;-6.88,-.82,;-7.28,-2.31,)| Show InChI InChI=1S/C27H38N6O3S/c1-3-20-4-7-23(29-14-20)17-36-16-22-11-13-33(15-22)37(34,35)18-21-5-8-24(9-6-21)32(2)27-25-10-12-28-26(25)30-19-31-27/h4,7,10,12,14,19,21-22,24H,3,5-6,8-9,11,13,15-18H2,1-2H3,(H,28,30,31)/t21-,22-,24-/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 | 63.6 | 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)) | BDBM113187
(US8633206, 105)Show SMILES CCN1CCN(C[C@H]2CCN(C2)S(=O)(=O)C[C@H]2CC[C@@H](CC2)N(C)c2ncnc3[nH]ccc23)C(=O)C1=O |r,wU:16.16,7.6,wD:19.23,(-6.39,-3.83,;-7.48,-2.74,;-7.08,-1.25,;-5.6,-.85,;-5.2,.64,;-6.29,1.73,;-5.89,3.21,;-4.4,3.61,;-3.49,4.86,;-2.03,4.38,;-2.05,2.84,;-3.49,2.37,;-.71,2.07,;-.71,.53,;.62,1.3,;.62,2.84,;1.95,2.07,;3.29,2.84,;4.62,2.07,;4.62,.53,;3.29,-.24,;1.95,.53,;5.96,-.24,;7.29,.53,;5.96,-1.78,;4.62,-2.55,;4.62,-4.09,;5.96,-4.86,;7.29,-4.09,;8.75,-4.56,;9.66,-3.32,;8.75,-2.07,;7.29,-2.55,;-7.77,1.33,;-8.86,2.42,;-8.17,-.16,;-9.66,-.56,)| Show InChI InChI=1S/C25H37N7O4S/c1-3-30-12-13-31(25(34)24(30)33)14-19-9-11-32(15-19)37(35,36)16-18-4-6-20(7-5-18)29(2)23-21-8-10-26-22(21)27-17-28-23/h8,10,17-20H,3-7,9,11-16H2,1-2H3,(H,26,27,28)/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 | 90.4 | 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)) | BDBM113207
(US8633206, 125)Show SMILES CC[C@H]1CCCCC1NS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:13.13,2.2,wD:16.20,(-3.85,-.77,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-7.85,3.08,;-6.52,3.85,;-5.19,3.08,;-3.85,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,2.31,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;2.82,1.54,;1.48,.77,;.15,1.54,;4.15,.77,;5.48,1.54,;4.15,-.77,;2.82,-1.54,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;6.95,-3.56,;7.85,-2.31,;6.95,-1.06,;5.48,-1.54,)| Show InChI InChI=1S/C21H32N5O2S/c1-26(21-18-10-11-22-20(18)23-14-24-21)17-8-6-15(7-9-17)13-29(27)25-19-5-3-2-4-16(19)12-28-29/h10-11,14-17,19H,2-9,12-13H2,1H3,(H,25,27)(H,22,23,24)/t15-,16-,17-,19?,29?/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 | 59.3 | 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 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)) | BDBM113214
(US8633206, 133)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/C20H33N5O3S/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/h5,7,13-16,18,26,29H,3-4,6,8-12H2,1-2H3,(H,27,28)(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 | 0.0199 | 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)) | 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 | 0.129 | 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)) | BDBM113217
(US8633206, 136)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H30N6O2S/c1-23-9-11-25(12-10-23)28(26,27)13-15-3-5-16(6-4-15)24(2)19-17-7-8-20-18(17)21-14-22-19/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,20,21,22)/t15-,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 | 0.109 | 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)) | BDBM113088
(US8633206, 6)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(F)(F)F)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,;7.34,2.7,;6,.39,;7.34,1.16,;-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/C20H28F3N5O2S/c1-27(19-17-8-9-24-18(17)25-13-26-19)16-6-4-14(5-7-16)12-31(29,30)28-10-2-3-15(11-28)20(21,22)23/h8-9,13-16H,2-7,10-12H2,1H3,(H,24,25,26)/t14-,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 | 7.25 | 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)) | 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 | 14.8 | 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)) | 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)) | 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 | 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 JAK1
(Homo sapiens (Human)) | BDBM113122
(US8633206, 40)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.14,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-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-/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 | 1.44 | 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)) | BDBM113123
(US8633206, 41)Show SMILES COC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,wD:15.19,(-7.85,5.78,;-7.85,4.24,;-6.52,3.47,;-5.19,4.23,;-3.85,3.47,;-3.85,1.93,;-5.19,1.15,;-6.52,1.93,;-2.52,1.15,;-2.52,-.38,;-1.18,.38,;-1.18,1.93,;.15,1.15,;1.48,1.92,;2.82,1.15,;2.82,-.39,;1.48,-1.15,;.15,-.39,;4.15,-1.16,;5.48,-.39,;4.15,-2.7,;2.82,-3.47,;2.82,-5.01,;4.15,-5.78,;5.48,-5.01,;6.95,-5.48,;7.85,-4.24,;6.95,-2.99,;5.48,-3.47,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-7-10-21-19(18)22-14-23-20)16-5-3-15(4-6-16)13-29(26,27)25-11-8-17(28-2)9-12-25/h7,10,14-17H,3-6,8-9,11-13H2,1-2H3,(H,21,22,23)/t15-,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 | 22.1 | 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)) | 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 | 12.8 | 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)) | 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 | 5.98 | 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)) | 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)) | BDBM113152
(US8633206, 70)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,13.13,(4.66,-.13,;3.33,-.9,;1.99,-.13,;1.99,1.41,;.66,2.18,;-.68,1.41,;-2.01,2.18,;-3.34,1.41,;-3.34,-.13,;-2.01,.64,;-4.68,2.18,;-6.12,1.7,;-7.03,2.95,;-6.12,4.19,;-6.89,5.52,;-4.66,3.72,;-.68,-.13,;.66,-.9,;3.33,-2.44,;1.99,-3.21,;1.99,-4.75,;3.33,-5.52,;4.66,-4.75,;6.12,-5.23,;7.03,-3.98,;6.12,-2.74,;4.66,-3.21,)| Show InChI InChI=1S/C18H26FN5O2S/c1-23(18-16-6-8-20-17(16)21-12-22-18)15-4-2-13(3-5-15)11-27(25,26)24-9-7-14(19)10-24/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,20,21,22)/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 | 20.8 | 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)) | 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 | 2.52 | 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)) | BDBM113154
(US8633206, 72)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:5.5,14.14,wD:2.1,12.12,(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-/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 | 5.92 | 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)) | 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 | 19.1 | 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)) | 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 | 6.73 | 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)) | BDBM113179
(US8633206, 97)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@](O)(CSc3ccccn3)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,13.14,(6.84,-1.97,;5.5,-2.74,;4.17,-1.97,;4.17,-.43,;2.84,.34,;1.5,-.43,;.17,.34,;-1.16,-.43,;-1.16,-1.97,;.17,-1.2,;-2.5,.34,;-2.48,1.88,;-3.95,2.36,;-4.85,1.11,;-5.62,-.22,;-5.94,2.2,;-5.54,3.69,;-6.63,4.78,;-6.23,6.27,;-7.32,7.36,;-8.81,6.96,;-9.21,5.47,;-8.12,4.38,;-3.95,-.13,;1.5,-1.97,;2.84,-2.74,;5.5,-4.28,;4.17,-5.05,;4.17,-6.59,;5.5,-7.36,;6.84,-6.59,;8.3,-7.06,;9.21,-5.82,;8.3,-4.57,;6.84,-5.05,)| Show InChI InChI=1S/C24H32N6O3S2/c1-29(23-20-9-12-26-22(20)27-17-28-23)19-7-5-18(6-8-19)14-35(32,33)30-13-10-24(31,15-30)16-34-21-4-2-3-11-25-21/h2-4,9,11-12,17-19,31H,5-8,10,13-16H2,1H3,(H,26,27,28)/t18-,19-,24-/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 | 1.36 | 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)) | BDBM113182
(US8633206, 100)Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](C2)c2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(5.35,-1.7,;4.02,-2.47,;2.68,-1.7,;2.68,-.16,;1.35,.61,;.01,-.16,;-1.32,.61,;-2.65,-.16,;-2.65,-1.7,;-1.32,-.93,;-3.99,.61,;-5.43,.13,;-6.34,1.38,;-5.43,2.63,;-3.97,2.15,;-5.83,4.11,;-4.74,5.2,;-5.14,6.69,;-6.63,7.09,;-7.72,6,;-7.32,4.51,;.01,-1.7,;1.35,-2.47,;4.02,-4.01,;2.68,-4.78,;2.68,-6.32,;4.02,-7.09,;5.35,-6.32,;6.81,-6.8,;7.72,-5.55,;6.81,-4.3,;5.35,-4.78,)| Show InChI InChI=1S/C24H31N5O2S/c1-28(24-22-11-13-25-23(22)26-17-27-24)21-9-7-18(8-10-21)16-32(30,31)29-14-12-20(15-29)19-5-3-2-4-6-19/h2-6,11,13,17-18,20-21H,7-10,12,14-16H2,1H3,(H,25,26,27)/t18-,20-,21-/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 | 6.89 | 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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