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PDB code 4TYH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 8 hits 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 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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14n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 970n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/an/a 1.55E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 1-[7-[3-[4-(aminomethyl)-1-piperidyl]propoxy]-6-methoxy-quinazolin-4-yl]-3-(2-chloro-6-methylphenyl)urea from GST-tagged phosphorylat...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 61n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 9.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human PBMC assessed as inhibition of LPS-induced TNF-alpha production incubated for 30 mins prior to LPS challenge measure...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (346/348 > 99%)
(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
PDB
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PC cid
PC sid
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n/an/an/a 1.54E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 1-[7-[3-[4-(aminomethyl)-1-piperidyl]propoxy]-6-methoxy-quinazolin-4-yl]-3-(2-chloro-6-methylphenyl)urea from GST-tagged phosphorylat...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output