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PubMed code 22342625

Compile data set for download or QSAR
Found 6 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 14


(Homo sapiens (Human))
BDBM69530
PNG
((4-Amino-2-phenylamino-thiazol-5-yl)-phenyl-methan...)
Show SMILES Nc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
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Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 2195-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.104
BindingDB Entry DOI: 10.7270/Q2474B9Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50365804
PNG
(CHEMBL1956879)
Show SMILES Cn1cc(\C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)c2ccccc12
Show InChI InChI=1S/C22H19N3O3/c1-24-14-16(17-9-5-6-10-19(17)24)13-18-20(26)23-22(28)25(21(18)27)12-11-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,23,26,28)/b18-13-
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Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 2195-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.104
BindingDB Entry DOI: 10.7270/Q2474B9Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50365805
PNG
(CHEMBL1956880)
Show SMILES Cc1cccc(c1)-c1nc(Nc2ccc(cc2)C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C22H17N3O2/c1-14-5-4-6-16(13-14)20-24-19-8-3-2-7-18(19)21(25-20)23-17-11-9-15(10-12-17)22(26)27/h2-13H,1H3,(H,26,27)(H,23,24,25)
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n/an/a 2.04E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 2195-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.104
BindingDB Entry DOI: 10.7270/Q2474B9Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50365806
PNG
(CHEMBL1956881)
Show SMILES CCn1cc(\C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O4/c1-2-26-14-16(17-5-3-4-6-20(17)26)13-22-23(28)18-7-8-21(27)19(24(18)30-22)15-25-9-11-29-12-10-25/h3-8,13-14,27H,2,9-12,15H2,1H3/b22-13+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 2195-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.104
BindingDB Entry DOI: 10.7270/Q2474B9Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50365807
PNG
(CHEMBL1956882)
Show SMILES O=C1N(CCc2nc3c4c(-c5ccco5)c(oc4ncn3n2)-c2ccco2)C(=O)c2ccccc12
Show InChI InChI=1S/C25H15N5O5/c31-24-14-5-1-2-6-15(14)25(32)29(24)10-9-18-27-22-20-19(16-7-3-11-33-16)21(17-8-4-12-34-17)35-23(20)26-13-30(22)28-18/h1-8,11-13H,9-10H2
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 2195-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.104
BindingDB Entry DOI: 10.7270/Q2474B9Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50354686
PNG
(CHEMBL1524400)
Show SMILES NC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C21H16N4O2/c22-20(27)14-5-9-15(10-6-14)23-21-18-4-2-1-3-17(18)19(24-25-21)13-7-11-16(26)12-8-13/h1-12,26H,(H2,22,27)(H,23,25)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 2195-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.104
BindingDB Entry DOI: 10.7270/Q2474B9Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%