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PubMed code 22244937

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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6.20n/an/an/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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44n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 6n/an/an/an/an/an/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
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50364377
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 7n/an/an/an/an/an/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
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 7n/an/an/an/an/an/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
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 10n/an/an/an/an/an/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
PNG
(CHEMBL1950303)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1
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
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n/an/a 32n/an/an/an/an/an/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
PNG
(CHEMBL1950303)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1
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
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n/an/a 38n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364377
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 51n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 61n/an/an/an/an/an/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
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364382
PNG
(CHEMBL1950293)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1
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+
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n/an/a 63n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364381
PNG
(CHEMBL1950292)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1
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+
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n/an/a 79n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364383
PNG
(CHEMBL1950294)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
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-
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n/an/a 120n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364380
PNG
(CHEMBL1950291)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1
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+
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n/an/a 120n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364379
PNG
(CHEMBL1950290)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1
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+
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n/an/a 160n/an/an/an/an/an/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
PNG
(CHEMBL1950291)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1
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+
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n/an/a 160n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364370
PNG
(CHEMBL1950297)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
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-
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n/an/a 170n/an/an/an/an/an/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
PNG
(CHEMBL1946837)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
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-
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n/an/a 220n/an/an/an/an/an/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
PNG
(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)
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n/an/a 230n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50363467
PNG
(CHEMBL1946837)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
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-
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n/an/a 270n/an/an/an/an/an/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
PNG
(CHEMBL1950297)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
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-
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n/an/a 290n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364371
PNG
(CHEMBL1950298)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 320n/an/an/an/an/an/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
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 380n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364384
PNG
(CHEMBL1950295)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 390n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364376
PNG
(CHEMBL1950303)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1
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
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n/an/a 400n/an/an/an/an/an/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
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 480n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364372
PNG
(CHEMBL1950299)
Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 540n/an/an/an/an/an/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
PNG
(CHEMBL1950294)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1
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-
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n/an/a 560n/an/an/an/an/an/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
PNG
(CHEMBL1950300)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 860n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364373
PNG
(CHEMBL1950300)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 880n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364369
PNG
(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)
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n/an/a 900n/an/an/an/an/an/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
PNG
(CHEMBL1950290)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1
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+
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n/an/a 910n/an/an/an/an/an/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
PNG
(CHEMBL1950298)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 980n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364374
PNG
(CHEMBL1950301)
Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 1.20E+3n/an/an/an/an/an/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50364375
PNG
(CHEMBL1950302)
Show SMILES CC(C)(O)[C@H]1CC[C@H](C1)c1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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
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n/an/a 1.30E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950295)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a 2.70E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950302)
Show SMILES CC(C)(O)[C@H]1CC[C@H](C1)c1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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
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n/an/a>3.00E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950303)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1
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
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n/an/a>3.00E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950299)
Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a>3.00E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950301)
Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1
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-
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n/an/a>3.00E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 3.40E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950304)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
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
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n/an/a 4.20E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950292)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1
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+
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n/an/a 6.20E+3n/an/an/an/an/an/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
PNG
(CHEMBL1950293)
Show SMILES CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1
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+
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n/an/a 6.40E+3n/an/an/an/an/an/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
* indicates data uncertainty>20%