Found 44 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 |
|---|
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK3 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50364377
(CHEMBL1950304)Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)| Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK3 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50364377
(CHEMBL1950304)Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)| Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50364376
(CHEMBL1950303)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK3 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50364376
(CHEMBL1950303)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364377
(CHEMBL1950304)Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)| Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364382
(CHEMBL1950293)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)| Show InChI InChI=1S/C25H30F3N7O2/c1-14(2)30-24-29-13-20-22(33-24)35(25(31-20)32-21-18(27)11-16(26)12-19(21)28)17-5-3-15(4-6-17)23(36)34-7-9-37-10-8-34/h11-15,17H,3-10H2,1-2H3,(H,31,32)(H,29,30,33)/t15-,17+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364381
(CHEMBL1950292)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1 |r,wU:21.21,24.28,(15.56,-14.27,;17.1,-14.26,;17.87,-12.93,;17.88,-15.59,;19.42,-15.59,;20.18,-14.26,;21.72,-14.26,;22.49,-15.59,;23.98,-15.9,;24.15,-17.42,;25.48,-18.18,;26.81,-17.41,;26.8,-15.88,;25.46,-15.12,;28.13,-15.1,;29.47,-15.87,;30.8,-15.09,;29.48,-17.41,;28.14,-18.18,;28.14,-19.72,;22.75,-18.05,;22.01,-19.39,;20.47,-19.41,;19.72,-20.76,;20.51,-22.08,;22.05,-22.05,;22.81,-20.7,;19.76,-23.42,;20.55,-24.75,;18.22,-23.45,;17.43,-22.13,;17.4,-20.59,;16.08,-21.38,;21.73,-16.91,;20.18,-16.91,)| Show InChI InChI=1S/C24H28F3N7O/c1-12(2)29-23-28-11-19-21(33-23)34(16-7-3-13(4-8-16)22(35)30-15-5-6-15)24(31-19)32-20-17(26)9-14(25)10-18(20)27/h9-13,15-16H,3-8H2,1-2H3,(H,30,35)(H,31,32)(H,28,29,33)/t13-,16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364380
(CHEMBL1950291)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1 |r,wU:21.21,24.28,(-6.14,-14,;-4.6,-14,;-3.83,-12.66,;-3.82,-15.33,;-2.28,-15.33,;-1.52,-14,;.02,-13.99,;.79,-15.32,;2.28,-15.64,;2.45,-17.16,;3.78,-17.92,;5.12,-17.15,;5.1,-15.62,;3.76,-14.86,;6.43,-14.84,;7.77,-15.61,;9.1,-14.83,;7.78,-17.15,;6.45,-17.92,;6.45,-19.46,;1.05,-17.78,;.31,-19.13,;-1.23,-19.15,;-1.98,-20.49,;-1.19,-21.82,;.35,-21.79,;1.11,-20.44,;-1.94,-23.16,;-3.48,-23.19,;-1.15,-24.48,;.03,-16.65,;-1.52,-16.65,)| Show InChI InChI=1S/C21H24F3N7O/c1-10(2)27-20-26-9-16-19(30-20)31(13-5-3-11(4-6-13)18(25)32)21(28-16)29-17-14(23)7-12(22)8-15(17)24/h7-11,13H,3-6H2,1-2H3,(H2,25,32)(H,28,29)(H,26,27,30)/t11-,13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364383
(CHEMBL1950294)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.84,-5.68,;-5.07,-4.34,;-5.84,-3.01,;-5.08,-1.68,;-3.54,-1.68,;-2.76,-3.01,;-3.53,-4.34,;-2.77,-.34,;-1.23,-.34,;-.47,.99,;1.07,1,;1.84,-.33,;3.33,-.65,;3.5,-2.17,;4.83,-2.93,;6.16,-2.16,;7.49,-2.93,;8.83,-2.16,;8.82,-.62,;10.15,.16,;7.48,.15,;6.15,-.63,;4.81,.13,;2.1,-2.79,;1.57,-4.24,;.09,-4.65,;.03,-6.19,;1.47,-6.73,;2.43,-5.52,;1.08,-1.66,;-.47,-1.66,)| Show InChI InChI=1S/C22H26F2N6O/c23-13-5-10-18(17(24)11-13)27-22-28-19-12-25-21(26-14-6-8-16(31)9-7-14)29-20(19)30(22)15-3-1-2-4-15/h5,10-12,14-16,31H,1-4,6-9H2,(H,27,28)(H,25,26,29)/t14-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364380
(CHEMBL1950291)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1 |r,wU:21.21,24.28,(-6.14,-14,;-4.6,-14,;-3.83,-12.66,;-3.82,-15.33,;-2.28,-15.33,;-1.52,-14,;.02,-13.99,;.79,-15.32,;2.28,-15.64,;2.45,-17.16,;3.78,-17.92,;5.12,-17.15,;5.1,-15.62,;3.76,-14.86,;6.43,-14.84,;7.77,-15.61,;9.1,-14.83,;7.78,-17.15,;6.45,-17.92,;6.45,-19.46,;1.05,-17.78,;.31,-19.13,;-1.23,-19.15,;-1.98,-20.49,;-1.19,-21.82,;.35,-21.79,;1.11,-20.44,;-1.94,-23.16,;-3.48,-23.19,;-1.15,-24.48,;.03,-16.65,;-1.52,-16.65,)| Show InChI InChI=1S/C21H24F3N7O/c1-10(2)27-20-26-9-16-19(30-20)31(13-5-3-11(4-6-13)18(25)32)21(28-16)29-17-14(23)7-12(22)8-15(17)24/h7-11,13H,3-6H2,1-2H3,(H2,25,32)(H,28,29)(H,26,27,30)/t11-,13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364379
(CHEMBL1950290)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.20,23.24,(16.31,-.3,;17.85,-.29,;18.62,1.04,;18.63,-1.63,;20.16,-1.62,;20.92,-.29,;22.47,-.29,;23.24,-1.62,;24.73,-1.93,;24.9,-3.45,;26.23,-4.22,;27.56,-3.44,;27.55,-1.91,;26.21,-1.15,;28.87,-1.13,;30.22,-1.9,;30.22,-3.44,;28.89,-4.22,;28.89,-5.76,;23.5,-4.08,;22.76,-5.42,;21.21,-5.45,;20.47,-6.79,;21.26,-8.11,;20.51,-9.46,;22.8,-8.08,;23.55,-6.73,;22.48,-2.94,;20.93,-2.94,)| Show InChI InChI=1S/C20H24F2N6O/c1-11(2)24-19-23-10-16-18(27-19)28(12-6-8-13(29)9-7-12)20(25-16)26-17-14(21)4-3-5-15(17)22/h3-5,10-13,29H,6-9H2,1-2H3,(H,25,26)(H,23,24,27)/t12-,13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364370
(CHEMBL1950297)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.3,wD:7.10,(12.24,-16.76,;13.78,-16.76,;13,-18.08,;14.55,-18.1,;14.55,-15.43,;13.78,-14.09,;14.55,-12.76,;16.09,-12.76,;16.87,-14.09,;16.09,-15.43,;16.85,-11.43,;18.39,-11.42,;19.15,-10.09,;20.69,-10.09,;21.46,-11.42,;22.96,-11.73,;23.12,-13.25,;24.46,-14.02,;25.79,-13.24,;27.12,-14.02,;28.45,-13.24,;28.45,-11.7,;29.78,-10.92,;27.1,-10.94,;25.78,-11.71,;24.44,-10.95,;21.73,-13.88,;21.25,-15.34,;19.78,-15.8,;19.76,-17.34,;21.22,-17.83,;22.14,-16.6,;20.7,-12.74,;19.16,-12.74,)| Show InChI InChI=1S/C25H32F2N6O/c1-25(2,34)15-7-10-17(11-8-15)29-23-28-14-21-22(32-23)33(18-5-3-4-6-18)24(31-21)30-20-12-9-16(26)13-19(20)27/h9,12-15,17-18,34H,3-8,10-11H2,1-2H3,(H,30,31)(H,28,29,32)/t15-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50363467
(CHEMBL1946837)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)| Show InChI InChI=1S/C22H27F2N7/c23-13-5-10-18(17(24)11-13)28-22-29-19-12-26-21(27-15-8-6-14(25)7-9-15)30-20(19)31(22)16-3-1-2-4-16/h5,10-12,14-16H,1-4,6-9,25H2,(H,28,29)(H,26,27,30)/t14-,15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364369
(CHEMBL1950296)Show SMILES Fc1ccc(Nc2nc3cnc(nc3n2C2CCCC2)C2CCOCC2)c(F)c1 Show InChI InChI=1S/C21H23F2N5O/c22-14-5-6-17(16(23)11-14)25-21-26-18-12-24-19(13-7-9-29-10-8-13)27-20(18)28(21)15-3-1-2-4-15/h5-6,11-13,15H,1-4,7-10H2,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50363467
(CHEMBL1946837)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)| Show InChI InChI=1S/C22H27F2N7/c23-13-5-10-18(17(24)11-13)28-22-29-19-12-26-21(27-15-8-6-14(25)7-9-15)30-20(19)31(22)16-3-1-2-4-16/h5,10-12,14-16H,1-4,6-9,25H2,(H,28,29)(H,26,27,30)/t14-,15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364370
(CHEMBL1950297)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.3,wD:7.10,(12.24,-16.76,;13.78,-16.76,;13,-18.08,;14.55,-18.1,;14.55,-15.43,;13.78,-14.09,;14.55,-12.76,;16.09,-12.76,;16.87,-14.09,;16.09,-15.43,;16.85,-11.43,;18.39,-11.42,;19.15,-10.09,;20.69,-10.09,;21.46,-11.42,;22.96,-11.73,;23.12,-13.25,;24.46,-14.02,;25.79,-13.24,;27.12,-14.02,;28.45,-13.24,;28.45,-11.7,;29.78,-10.92,;27.1,-10.94,;25.78,-11.71,;24.44,-10.95,;21.73,-13.88,;21.25,-15.34,;19.78,-15.8,;19.76,-17.34,;21.22,-17.83,;22.14,-16.6,;20.7,-12.74,;19.16,-12.74,)| Show InChI InChI=1S/C25H32F2N6O/c1-25(2,34)15-7-10-17(11-8-15)29-23-28-14-21-22(32-23)33(18-5-3-4-6-18)24(31-21)30-20-12-9-16(26)13-19(20)27/h9,12-15,17-18,34H,3-8,10-11H2,1-2H3,(H,30,31)(H,28,29,32)/t15-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
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PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364371
(CHEMBL1950298)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:4.3,wD:7.10,(-5.78,-30.64,;-4.24,-30.65,;-5.02,-31.97,;-3.47,-31.98,;-3.47,-29.31,;-4.23,-27.97,;-3.47,-26.64,;-1.93,-26.64,;-1.15,-27.97,;-1.92,-29.31,;-1.16,-25.31,;.38,-25.3,;1.14,-23.97,;2.68,-23.97,;3.45,-25.3,;4.95,-25.61,;5.11,-27.13,;6.45,-27.9,;7.78,-27.12,;9.11,-27.9,;10.44,-27.12,;10.44,-25.58,;11.77,-24.8,;9.09,-24.82,;7.77,-25.59,;6.43,-24.83,;3.72,-27.76,;2.99,-29.12,;1.45,-29.15,;.72,-30.5,;1.53,-31.82,;3.07,-31.78,;3.81,-30.42,;2.69,-26.63,;1.14,-26.62,)| Show InChI InChI=1S/C25H32F2N6O2/c1-25(2,34)15-3-6-17(7-4-15)29-23-28-14-21-22(32-23)33(18-9-11-35-12-10-18)24(31-21)30-20-8-5-16(26)13-19(20)27/h5,8,13-15,17-18,34H,3-4,6-7,9-12H2,1-2H3,(H,30,31)(H,28,29,32)/t15-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364384
(CHEMBL1950295)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.0,wD:4.7,(13.36,-4.29,;14.13,-2.95,;13.36,-1.62,;14.13,-.29,;15.66,-.29,;16.45,-1.62,;15.67,-2.95,;16.43,1.05,;17.97,1.06,;18.73,2.39,;20.28,2.39,;21.04,1.06,;22.54,.75,;22.71,-.77,;24.04,-1.54,;25.38,-.77,;26.71,-1.54,;28.04,-.77,;28.03,.78,;29.37,1.55,;26.69,1.54,;25.36,.76,;24.02,1.52,;21.31,-1.4,;20.55,-2.75,;19.02,-2.75,;18.26,-4.09,;19.04,-5.42,;20.59,-5.41,;21.35,-4.06,;20.28,-.27,;18.74,-.27,)| Show InChI InChI=1S/C22H26F2N6O2/c23-13-1-6-18(17(24)11-13)27-22-28-19-12-25-21(26-14-2-4-16(31)5-3-14)29-20(19)30(22)15-7-9-32-10-8-15/h1,6,11-12,14-16,31H,2-5,7-10H2,(H,27,28)(H,25,26,29)/t14-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364376
(CHEMBL1950303)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
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PC sid
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| Article
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
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PDB
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PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364372
(CHEMBL1950299)Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:3.2,wD:6.9,(15.15,-29.94,;15.92,-31.28,;17.46,-31.28,;18.23,-29.95,;17.47,-28.61,;18.23,-27.28,;19.77,-27.28,;20.55,-28.61,;19.78,-29.95,;20.54,-25.94,;22.08,-25.94,;22.84,-24.61,;24.38,-24.6,;25.15,-25.93,;26.65,-26.25,;26.81,-27.77,;28.15,-28.53,;29.48,-27.76,;30.81,-28.53,;32.14,-27.76,;32.14,-26.22,;33.47,-25.44,;30.79,-25.45,;29.47,-26.23,;28.13,-25.47,;25.42,-28.4,;24.69,-29.75,;23.15,-29.79,;22.42,-31.14,;23.23,-32.45,;24.77,-32.41,;25.51,-31.05,;24.39,-27.26,;22.84,-27.26,)| Show InChI InChI=1S/C24H30F2N6O2/c1-2-34-18-6-4-16(5-7-18)28-23-27-14-21-22(31-23)32(17-9-11-33-12-10-17)24(30-21)29-20-8-3-15(25)13-19(20)26/h3,8,13-14,16-18H,2,4-7,9-12H2,1H3,(H,29,30)(H,27,28,31)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364383
(CHEMBL1950294)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.84,-5.68,;-5.07,-4.34,;-5.84,-3.01,;-5.08,-1.68,;-3.54,-1.68,;-2.76,-3.01,;-3.53,-4.34,;-2.77,-.34,;-1.23,-.34,;-.47,.99,;1.07,1,;1.84,-.33,;3.33,-.65,;3.5,-2.17,;4.83,-2.93,;6.16,-2.16,;7.49,-2.93,;8.83,-2.16,;8.82,-.62,;10.15,.16,;7.48,.15,;6.15,-.63,;4.81,.13,;2.1,-2.79,;1.57,-4.24,;.09,-4.65,;.03,-6.19,;1.47,-6.73,;2.43,-5.52,;1.08,-1.66,;-.47,-1.66,)| Show InChI InChI=1S/C22H26F2N6O/c23-13-5-10-18(17(24)11-13)27-22-28-19-12-25-21(26-14-6-8-16(31)9-7-14)29-20(19)30(22)15-3-1-2-4-15/h5,10-12,14-16,31H,1-4,6-9H2,(H,27,28)(H,25,26,29)/t14-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364373
(CHEMBL1950300)Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:5.4,wD:8.11,(-9.55,-42.42,;-8.78,-43.75,;-8.38,-45.23,;-9.88,-44.84,;-7.24,-43.75,;-6.46,-42.42,;-7.23,-41.08,;-6.47,-39.75,;-4.93,-39.75,;-4.15,-41.08,;-4.92,-42.42,;-4.16,-38.42,;-2.62,-38.41,;-1.86,-37.08,;-.32,-37.08,;.45,-38.41,;1.95,-38.72,;2.11,-40.24,;3.45,-41.01,;4.78,-40.23,;6.12,-41.01,;7.45,-40.23,;7.44,-38.69,;8.77,-37.91,;6.1,-37.92,;4.77,-38.7,;3.43,-37.94,;.72,-40.87,;-.01,-42.23,;-1.55,-42.26,;-2.28,-43.61,;-1.47,-44.93,;.07,-44.88,;.81,-43.53,;-.31,-39.73,;-1.85,-39.73,)| Show InChI InChI=1S/C23H29F2N7O3S/c1-36(33,34)31-16-5-3-15(4-6-16)27-22-26-13-20-21(30-22)32(17-8-10-35-11-9-17)23(29-20)28-19-7-2-14(24)12-18(19)25/h2,7,12-13,15-17,31H,3-6,8-11H2,1H3,(H,28,29)(H,26,27,30)/t15-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364373
(CHEMBL1950300)Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:5.4,wD:8.11,(-9.55,-42.42,;-8.78,-43.75,;-8.38,-45.23,;-9.88,-44.84,;-7.24,-43.75,;-6.46,-42.42,;-7.23,-41.08,;-6.47,-39.75,;-4.93,-39.75,;-4.15,-41.08,;-4.92,-42.42,;-4.16,-38.42,;-2.62,-38.41,;-1.86,-37.08,;-.32,-37.08,;.45,-38.41,;1.95,-38.72,;2.11,-40.24,;3.45,-41.01,;4.78,-40.23,;6.12,-41.01,;7.45,-40.23,;7.44,-38.69,;8.77,-37.91,;6.1,-37.92,;4.77,-38.7,;3.43,-37.94,;.72,-40.87,;-.01,-42.23,;-1.55,-42.26,;-2.28,-43.61,;-1.47,-44.93,;.07,-44.88,;.81,-43.53,;-.31,-39.73,;-1.85,-39.73,)| Show InChI InChI=1S/C23H29F2N7O3S/c1-36(33,34)31-16-5-3-15(4-6-16)27-22-26-13-20-21(30-22)32(17-8-10-35-11-9-17)23(29-20)28-19-7-2-14(24)12-18(19)25/h2,7,12-13,15-17,31H,3-6,8-11H2,1H3,(H,28,29)(H,26,27,30)/t15-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364369
(CHEMBL1950296)Show SMILES Fc1ccc(Nc2nc3cnc(nc3n2C2CCCC2)C2CCOCC2)c(F)c1 Show InChI InChI=1S/C21H23F2N5O/c22-14-5-6-17(16(23)11-14)25-21-26-18-12-24-19(13-7-9-29-10-8-13)27-20(18)28(21)15-3-1-2-4-15/h5-6,11-13,15H,1-4,7-10H2,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364379
(CHEMBL1950290)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.20,23.24,(16.31,-.3,;17.85,-.29,;18.62,1.04,;18.63,-1.63,;20.16,-1.62,;20.92,-.29,;22.47,-.29,;23.24,-1.62,;24.73,-1.93,;24.9,-3.45,;26.23,-4.22,;27.56,-3.44,;27.55,-1.91,;26.21,-1.15,;28.87,-1.13,;30.22,-1.9,;30.22,-3.44,;28.89,-4.22,;28.89,-5.76,;23.5,-4.08,;22.76,-5.42,;21.21,-5.45,;20.47,-6.79,;21.26,-8.11,;20.51,-9.46,;22.8,-8.08,;23.55,-6.73,;22.48,-2.94,;20.93,-2.94,)| Show InChI InChI=1S/C20H24F2N6O/c1-11(2)24-19-23-10-16-18(27-19)28(12-6-8-13(29)9-7-12)20(25-16)26-17-14(21)4-3-5-15(17)22/h3-5,10-13,29H,6-9H2,1-2H3,(H,25,26)(H,23,24,27)/t12-,13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364371
(CHEMBL1950298)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:4.3,wD:7.10,(-5.78,-30.64,;-4.24,-30.65,;-5.02,-31.97,;-3.47,-31.98,;-3.47,-29.31,;-4.23,-27.97,;-3.47,-26.64,;-1.93,-26.64,;-1.15,-27.97,;-1.92,-29.31,;-1.16,-25.31,;.38,-25.3,;1.14,-23.97,;2.68,-23.97,;3.45,-25.3,;4.95,-25.61,;5.11,-27.13,;6.45,-27.9,;7.78,-27.12,;9.11,-27.9,;10.44,-27.12,;10.44,-25.58,;11.77,-24.8,;9.09,-24.82,;7.77,-25.59,;6.43,-24.83,;3.72,-27.76,;2.99,-29.12,;1.45,-29.15,;.72,-30.5,;1.53,-31.82,;3.07,-31.78,;3.81,-30.42,;2.69,-26.63,;1.14,-26.62,)| Show InChI InChI=1S/C25H32F2N6O2/c1-25(2,34)15-3-6-17(7-4-15)29-23-28-14-21-22(32-23)33(18-9-11-35-12-10-18)24(31-21)30-20-8-5-16(26)13-19(20)27/h5,8,13-15,17-18,34H,3-4,6-7,9-12H2,1-2H3,(H,30,31)(H,28,29,32)/t15-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364374
(CHEMBL1950301)Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.1,wD:5.8,1.0,(18.03,-43.32,;17.64,-41.84,;16.29,-42.6,;16.87,-40.5,;17.64,-39.17,;19.17,-39.17,;19.96,-40.5,;19.18,-41.84,;19.94,-37.83,;21.48,-37.83,;22.24,-36.5,;23.79,-36.5,;24.56,-37.83,;26.05,-38.14,;26.22,-39.66,;27.55,-40.43,;28.89,-39.65,;30.22,-40.43,;31.55,-39.65,;31.55,-38.11,;32.88,-37.33,;30.2,-37.34,;28.87,-38.12,;27.53,-37.36,;24.82,-40.29,;24.09,-41.65,;22.56,-41.68,;21.83,-43.03,;22.63,-44.35,;24.17,-44.3,;24.91,-42.95,;23.79,-39.15,;22.25,-39.15,)| Show InChI InChI=1S/C23H28F2N6O2/c1-23(32)8-4-15(5-9-23)27-21-26-13-19-20(30-21)31(16-6-10-33-11-7-16)22(29-19)28-18-3-2-14(24)12-17(18)25/h2-3,12-13,15-16,32H,4-11H2,1H3,(H,28,29)(H,26,27,30)/t15-,23- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364375
(CHEMBL1950302)Show SMILES CC(C)(O)[C@H]1CC[C@H](C1)c1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r| Show InChI InChI=1S/C24H29F2N5O2/c1-24(2,32)15-4-3-14(11-15)21-27-13-20-22(30-21)31(17-7-9-33-10-8-17)23(29-20)28-19-6-5-16(25)12-18(19)26/h5-6,12-15,17,32H,3-4,7-11H2,1-2H3,(H,28,29)/t14-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364384
(CHEMBL1950295)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.0,wD:4.7,(13.36,-4.29,;14.13,-2.95,;13.36,-1.62,;14.13,-.29,;15.66,-.29,;16.45,-1.62,;15.67,-2.95,;16.43,1.05,;17.97,1.06,;18.73,2.39,;20.28,2.39,;21.04,1.06,;22.54,.75,;22.71,-.77,;24.04,-1.54,;25.38,-.77,;26.71,-1.54,;28.04,-.77,;28.03,.78,;29.37,1.55,;26.69,1.54,;25.36,.76,;24.02,1.52,;21.31,-1.4,;20.55,-2.75,;19.02,-2.75,;18.26,-4.09,;19.04,-5.42,;20.59,-5.41,;21.35,-4.06,;20.28,-.27,;18.74,-.27,)| Show InChI InChI=1S/C22H26F2N6O2/c23-13-1-6-18(17(24)11-13)27-22-28-19-12-25-21(26-14-2-4-16(31)5-3-14)29-20(19)30(22)15-7-9-32-10-8-15/h1,6,11-12,14-16,31H,2-5,7-10H2,(H,27,28)(H,25,26,29)/t14-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364372
(CHEMBL1950299)Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:3.2,wD:6.9,(15.15,-29.94,;15.92,-31.28,;17.46,-31.28,;18.23,-29.95,;17.47,-28.61,;18.23,-27.28,;19.77,-27.28,;20.55,-28.61,;19.78,-29.95,;20.54,-25.94,;22.08,-25.94,;22.84,-24.61,;24.38,-24.6,;25.15,-25.93,;26.65,-26.25,;26.81,-27.77,;28.15,-28.53,;29.48,-27.76,;30.81,-28.53,;32.14,-27.76,;32.14,-26.22,;33.47,-25.44,;30.79,-25.45,;29.47,-26.23,;28.13,-25.47,;25.42,-28.4,;24.69,-29.75,;23.15,-29.79,;22.42,-31.14,;23.23,-32.45,;24.77,-32.41,;25.51,-31.05,;24.39,-27.26,;22.84,-27.26,)| Show InChI InChI=1S/C24H30F2N6O2/c1-2-34-18-6-4-16(5-7-18)28-23-27-14-21-22(31-23)32(17-9-11-33-12-10-17)24(30-21)29-20-8-3-15(25)13-19(20)26/h3,8,13-14,16-18H,2,4-7,9-12H2,1H3,(H,29,30)(H,27,28,31)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364374
(CHEMBL1950301)Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.1,wD:5.8,1.0,(18.03,-43.32,;17.64,-41.84,;16.29,-42.6,;16.87,-40.5,;17.64,-39.17,;19.17,-39.17,;19.96,-40.5,;19.18,-41.84,;19.94,-37.83,;21.48,-37.83,;22.24,-36.5,;23.79,-36.5,;24.56,-37.83,;26.05,-38.14,;26.22,-39.66,;27.55,-40.43,;28.89,-39.65,;30.22,-40.43,;31.55,-39.65,;31.55,-38.11,;32.88,-37.33,;30.2,-37.34,;28.87,-38.12,;27.53,-37.36,;24.82,-40.29,;24.09,-41.65,;22.56,-41.68,;21.83,-43.03,;22.63,-44.35,;24.17,-44.3,;24.91,-42.95,;23.79,-39.15,;22.25,-39.15,)| Show InChI InChI=1S/C23H28F2N6O2/c1-23(32)8-4-15(5-9-23)27-21-26-13-19-20(30-21)31(16-6-10-33-11-7-16)22(29-19)28-18-3-2-14(24)12-17(18)25/h2-3,12-13,15-16,32H,4-11H2,1H3,(H,28,29)(H,26,27,30)/t15-,23- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364376
(CHEMBL1950303)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364375
(CHEMBL1950302)Show SMILES CC(C)(O)[C@H]1CC[C@H](C1)c1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r| Show InChI InChI=1S/C24H29F2N5O2/c1-24(2,32)15-4-3-14(11-15)21-27-13-20-22(30-21)31(17-7-9-33-10-8-17)23(29-20)28-19-6-5-16(25)12-18(19)26/h5-6,12-15,17,32H,3-4,7-11H2,1-2H3,(H,28,29)/t14-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364377
(CHEMBL1950304)Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)| Show InChI InChI=1S/C23H26F3N7O2/c1-27-21(34)12-2-4-14(5-3-12)29-22-28-10-18-20(32-22)33(15-6-7-35-11-15)23(30-18)31-19-16(25)8-13(24)9-17(19)26/h8-10,12,14-15H,2-7,11H2,1H3,(H,27,34)(H,30,31)(H,28,29,32)/t12-,14-,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364381
(CHEMBL1950292)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1 |r,wU:21.21,24.28,(15.56,-14.27,;17.1,-14.26,;17.87,-12.93,;17.88,-15.59,;19.42,-15.59,;20.18,-14.26,;21.72,-14.26,;22.49,-15.59,;23.98,-15.9,;24.15,-17.42,;25.48,-18.18,;26.81,-17.41,;26.8,-15.88,;25.46,-15.12,;28.13,-15.1,;29.47,-15.87,;30.8,-15.09,;29.48,-17.41,;28.14,-18.18,;28.14,-19.72,;22.75,-18.05,;22.01,-19.39,;20.47,-19.41,;19.72,-20.76,;20.51,-22.08,;22.05,-22.05,;22.81,-20.7,;19.76,-23.42,;20.55,-24.75,;18.22,-23.45,;17.43,-22.13,;17.4,-20.59,;16.08,-21.38,;21.73,-16.91,;20.18,-16.91,)| Show InChI InChI=1S/C24H28F3N7O/c1-12(2)29-23-28-11-19-21(33-23)34(16-7-3-13(4-8-16)22(35)30-15-5-6-15)24(31-19)32-20-17(26)9-14(25)10-18(20)27/h9-13,15-16H,3-8H2,1-2H3,(H,30,35)(H,31,32)(H,28,29,33)/t13-,16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50364382
(CHEMBL1950293)Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)| Show InChI InChI=1S/C25H30F3N7O2/c1-14(2)30-24-29-13-20-22(33-24)35(25(31-20)32-21-18(27)11-16(26)12-19(21)28)17-5-3-15(4-6-17)23(36)34-7-9-37-10-8-34/h11-15,17H,3-10H2,1-2H3,(H,31,32)(H,29,30,33)/t15-,17+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
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