Found 636 hits with Last Name = 'amin' and Initial = 'n' 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 JAK1
(Homo sapiens (Human)) | BDBM292119
(US10100049, Example 16 | US10100049, Example 7-3 |...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1 Show InChI InChI=1S/C27H31FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC
US Patent
| Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... |
US Patent US10183942 (2019)
BindingDB Entry DOI: 10.7270/Q2G44SC9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292104
(US10100049, Example 1 | US10183942, Example 1-8 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1 Show InChI InChI=1S/C25H27FN6O/c1-3-14-9-23(33)19(26)10-18(14)15-4-5-17-21(8-15)29-30-24(17)25-27-20-6-7-32(13-22(20)28-25)16-11-31(2)12-16/h4-5,8-10,16,33H,3,6-7,11-13H2,1-2H3,(H,27,28)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC
US Patent
| Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... |
US Patent US10183942 (2019)
BindingDB Entry DOI: 10.7270/Q2G44SC9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292113
(US10100049, Example 10 | US10183942, Example 10 | ...)Show SMILES CCC(C)N(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H33FN6O/c1-5-17(3)34(4)11-12-35-10-9-23-25(16-35)31-28(30-23)27-20-8-7-19(13-24(20)32-33-27)21-15-22(29)26(36)14-18(21)6-2/h7-8,13-15,17,36H,5-6,9-12,16H2,1-4H3/b28-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC
US Patent
| |
US Patent US10183942 (2019)
BindingDB Entry DOI: 10.7270/Q2G44SC9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292115
(US10100049, Example 12 | US10183942, Example 12 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1 Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC
US Patent
| |
US Patent US10183942 (2019)
BindingDB Entry DOI: 10.7270/Q2G44SC9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292123
(US10100049, Example 1-8 | US11299492, Example 1-8 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292123
(US10100049, Example 1-8 | US11299492, Example 1-8 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM292123
(US10100049, Example 1-8 | US11299492, Example 1-8 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292124
(BDBM611864 | US10100049, Example 2-3)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1 Show InChI InChI=1S/C26H29FN6O/c1-2-15-12-24(34)20(27)13-19(15)16-3-4-18-22(11-16)31-32-25(18)26-29-21-7-10-33(14-23(21)30-26)17-5-8-28-9-6-17/h3-4,11-13,17,28,34H,2,5-10,14H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292124
(BDBM611864 | US10100049, Example 2-3)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1 Show InChI InChI=1S/C26H29FN6O/c1-2-15-12-24(34)20(27)13-19(15)16-3-4-18-22(11-16)31-32-25(18)26-29-21-7-10-33(14-23(21)30-26)17-5-8-28-9-6-17/h3-4,11-13,17,28,34H,2,5-10,14H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM549197
(US11299492, Example 3-30 | US11718616, Example 3-3...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CC(C1)OC |(-9.49,-2.64,;-8.14,-1.85,;-8.11,-.27,;-9.44,.46,;-9.44,2.04,;-10.82,2.74,;-8.14,2.77,;-8.11,4.29,;-6.8,2.01,;-6.8,.49,;-5.45,-.3,;-4.14,.43,;-2.78,-.3,;-2.81,-1.82,;-1.61,-2.85,;-2.27,-4.29,;-3.81,-4.13,;-4.09,-2.58,;-5.45,-1.82,;-.09,-2.55,;.81,-1.31,;2.28,-1.78,;3.61,-1.01,;4.94,-1.78,;4.94,-3.32,;3.61,-4.09,;2.28,-3.32,;.81,-3.8,;6.28,-1.01,;7.77,-1.41,;8.16,.07,;6.68,.47,;9.5,.84,;9.5,2.42,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM549197
(US11299492, Example 3-30 | US11718616, Example 3-3...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CC(C1)OC |(-9.49,-2.64,;-8.14,-1.85,;-8.11,-.27,;-9.44,.46,;-9.44,2.04,;-10.82,2.74,;-8.14,2.77,;-8.11,4.29,;-6.8,2.01,;-6.8,.49,;-5.45,-.3,;-4.14,.43,;-2.78,-.3,;-2.81,-1.82,;-1.61,-2.85,;-2.27,-4.29,;-3.81,-4.13,;-4.09,-2.58,;-5.45,-1.82,;-.09,-2.55,;.81,-1.31,;2.28,-1.78,;3.61,-1.01,;4.94,-1.78,;4.94,-3.32,;3.61,-4.09,;2.28,-3.32,;.81,-3.8,;6.28,-1.01,;7.77,-1.41,;8.16,.07,;6.68,.47,;9.5,.84,;9.5,2.42,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292127
(US10100049, Example 4-2 | US11299492, Example 4-2 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3CCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)13-17-4-3-8-28-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3/b26-25+/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292127
(US10100049, Example 4-2 | US11299492, Example 4-2 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3CCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)13-17-4-3-8-28-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3/b26-25+/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM292127
(US10100049, Example 4-2 | US11299492, Example 4-2 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3CCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)13-17-4-3-8-28-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3/b26-25+/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292119
(US10100049, Example 16 | US10100049, Example 7-3 |...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1 Show InChI InChI=1S/C27H31FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292119
(US10100049, Example 16 | US10100049, Example 7-3 |...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1 Show InChI InChI=1S/C27H31FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM292119
(US10100049, Example 16 | US10100049, Example 7-3 |...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1 Show InChI InChI=1S/C27H31FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292129
(US10100049, Example 9-1 | US11299492, Example 9-1 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNC1 Show InChI InChI=1S/C25H25FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)16-5-7-27-12-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3/b25-24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292129
(US10100049, Example 9-1 | US11299492, Example 9-1 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNC1 Show InChI InChI=1S/C25H25FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)16-5-7-27-12-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3/b25-24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292106
(US10100049, Example 3 | US10526330, Example 3 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292106
(US10100049, Example 3 | US10526330, Example 3 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292107
(US10100049, Example 4 | US10183942, Example 4-2 | ...)Show SMILES CCC(C)N1CC(C1)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H31FN6O/c1-4-16(3)35-13-19(14-35)34-9-8-23-25(15-34)31-28(30-23)27-20-7-6-18(10-24(20)32-33-27)21-12-22(29)26(36)11-17(21)5-2/h6-7,10-12,16,19,36H,4-5,8-9,13-15H2,1-3H3/b28-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292107
(US10100049, Example 4 | US10183942, Example 4-2 | ...)Show SMILES CCC(C)N1CC(C1)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H31FN6O/c1-4-16(3)35-13-19(14-35)34-9-8-23-25(15-34)31-28(30-23)27-20-7-6-18(10-24(20)32-33-27)21-12-22(29)26(36)11-17(21)5-2/h6-7,10-12,16,19,36H,4-5,8-9,13-15H2,1-3H3/b28-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292130
(US10100049, Example 9-2 | US11299492, Example 9-2 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1 Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292130
(US10100049, Example 9-2 | US11299492, Example 9-2 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1 Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM292130
(US10100049, Example 9-2 | US11299492, Example 9-2 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1 Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292108
(US10100049, Example 5 | US10183942, Example 5 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C1CC1 Show InChI InChI=1S/C27H29FN6O/c1-2-15-10-25(35)21(28)11-20(15)16-3-6-19-23(9-16)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)17-4-5-17/h3,6,9-11,17-18,35H,2,4-5,7-8,12-14H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292108
(US10100049, Example 5 | US10183942, Example 5 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C1CC1 Show InChI InChI=1S/C27H29FN6O/c1-2-15-10-25(35)21(28)11-20(15)16-3-6-19-23(9-16)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)17-4-5-17/h3,6,9-11,17-18,35H,2,4-5,7-8,12-14H2,1H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292131
(BDBM611871 | US10100049, Example 14-7 | US11299492...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1 Show InChI InChI=1S/C25H27FN6O/c1-2-15-8-23(33)19(26)9-18(15)16-3-4-17-21(7-16)30-31-24(17)25-28-20-5-6-32(13-22(20)29-25)12-14-10-27-11-14/h3-4,7-9,14,27,33H,2,5-6,10-13H2,1H3,(H,28,29)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292131
(BDBM611871 | US10100049, Example 14-7 | US11299492...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1 Show InChI InChI=1S/C25H27FN6O/c1-2-15-8-23(33)19(26)9-18(15)16-3-4-17-21(7-16)30-31-24(17)25-28-20-5-6-32(13-22(20)29-25)12-14-10-27-11-14/h3-4,7-9,14,27,33H,2,5-6,10-13H2,1H3,(H,28,29)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM292131
(BDBM611871 | US10100049, Example 14-7 | US11299492...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1 Show InChI InChI=1S/C25H27FN6O/c1-2-15-8-23(33)19(26)9-18(15)16-3-4-17-21(7-16)30-31-24(17)25-28-20-5-6-32(13-22(20)29-25)12-14-10-27-11-14/h3-4,7-9,14,27,33H,2,5-6,10-13H2,1H3,(H,28,29)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292109
(US10100049, Example 6 | US10183942, Example 6 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)CC1 Show InChI InChI=1S/C27H31FN6O/c1-3-16-13-25(35)21(28)14-20(16)17-4-5-19-23(12-17)31-32-26(19)27-29-22-8-11-34(15-24(22)30-27)18-6-9-33(2)10-7-18/h4-5,12-14,18,35H,3,6-11,15H2,1-2H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292109
(US10100049, Example 6 | US10183942, Example 6 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)CC1 Show InChI InChI=1S/C27H31FN6O/c1-3-16-13-25(35)21(28)14-20(16)17-4-5-19-23(12-17)31-32-26(19)27-29-22-8-11-34(15-24(22)30-27)18-6-9-33(2)10-7-18/h4-5,12-14,18,35H,3,6-11,15H2,1-2H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292110
(US10100049, Example 7 | US10183942, Example 7-3 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1 Show InChI InChI=1S/C25H29FN6O/c1-4-15-12-23(33)19(26)13-18(15)16-5-6-17-21(11-16)29-30-24(17)25-27-20-7-8-32(10-9-31(2)3)14-22(20)28-25/h5-6,11-13,33H,4,7-10,14H2,1-3H3,(H,27,28)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292110
(US10100049, Example 7 | US10183942, Example 7-3 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1 Show InChI InChI=1S/C25H29FN6O/c1-4-15-12-23(33)19(26)13-18(15)16-5-6-17-21(11-16)29-30-24(17)25-27-20-7-8-32(10-9-31(2)3)14-22(20)28-25/h5-6,11-13,33H,4,7-10,14H2,1-3H3,(H,27,28)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292112
(US10100049, Example 9 | US10183942, Example 9-2 | ...)Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292112
(US10100049, Example 9 | US10183942, Example 9-2 | ...)Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292113
(US10100049, Example 10 | US10183942, Example 10 | ...)Show SMILES CCC(C)N(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H33FN6O/c1-5-17(3)34(4)11-12-35-10-9-23-25(16-35)31-28(30-23)27-20-8-7-19(13-24(20)32-33-27)21-15-22(29)26(36)14-18(21)6-2/h7-8,13-15,17,36H,5-6,9-12,16H2,1-4H3/b28-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292113
(US10100049, Example 10 | US10183942, Example 10 | ...)Show SMILES CCC(C)N(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H33FN6O/c1-5-17(3)34(4)11-12-35-10-9-23-25(16-35)31-28(30-23)27-20-8-7-19(13-24(20)32-33-27)21-15-22(29)26(36)14-18(21)6-2/h7-8,13-15,17,36H,5-6,9-12,16H2,1-4H3/b28-27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292114
(US10100049, Example 11 | US10183942, Example 11 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r| Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292115
(US10100049, Example 12 | US10183942, Example 12 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1 Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292115
(US10100049, Example 12 | US10183942, Example 12 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1 Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292116
(US10100049, Example 13 | US10183942, Example 13 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3COCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O2/c1-2-15-10-24(34)20(27)11-19(15)16-3-4-18-22(9-16)31-32-25(18)26-29-21-5-7-33(13-23(21)30-26)12-17-14-35-8-6-28-17/h3-4,9-11,17,28,34H,2,5-8,12-14H2,1H3/b26-25+/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292116
(US10100049, Example 13 | US10183942, Example 13 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3COCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O2/c1-2-15-10-24(34)20(27)11-19(15)16-3-4-18-22(9-16)31-32-25(18)26-29-21-5-7-33(13-23(21)30-26)12-17-14-35-8-6-28-17/h3-4,9-11,17,28,34H,2,5-8,12-14H2,1H3/b26-25+/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292117
(US10100049, Example 14 | US10183942, Example 14-7 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3COCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O2/c1-2-15-10-24(34)20(27)11-19(15)16-3-4-18-22(9-16)31-32-25(18)26-29-21-5-7-33(13-23(21)30-26)12-17-14-35-8-6-28-17/h3-4,9-11,17,28,34H,2,5-8,12-14H2,1H3/b26-25+/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292117
(US10100049, Example 14 | US10183942, Example 14-7 ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3COCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O2/c1-2-15-10-24(34)20(27)11-19(15)16-3-4-18-22(9-16)31-32-25(18)26-29-21-5-7-33(13-23(21)30-26)12-17-14-35-8-6-28-17/h3-4,9-11,17,28,34H,2,5-8,12-14H2,1H3/b26-25+/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292118
(US10100049, Example 15 | US10183942, Example 15 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCC[C@@H]3C)CCc2[nH]1 |r| Show InChI InChI=1S/C28H31FN6O/c1-3-18-14-26(36)22(29)15-21(18)19-6-7-20-24(13-19)32-33-27(20)28-30-23-8-10-34(16-25(23)31-28)11-12-35-9-4-5-17(35)2/h6-7,13-15,17,36H,3-5,8-12,16H2,1-2H3/b28-27+/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM292118
(US10100049, Example 15 | US10183942, Example 15 | ...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCC[C@@H]3C)CCc2[nH]1 |r| Show InChI InChI=1S/C28H31FN6O/c1-3-18-14-26(36)22(29)15-21(18)19-6-7-20-24(13-19)32-33-27(20)28-30-23-8-10-34(16-25(23)31-28)11-12-35-9-4-5-17(35)2/h6-7,13-15,17,36H,3-5,8-12,16H2,1-2H3/b28-27+/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this
Ligand-Target Pair | |
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