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PubMed code 21905739

Compile data set for download or QSAR
Found 9 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))
BDBM50385649
PNG
(CHEMBL2041958)
Show SMILES CC(C)Nc1cc(ccn1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H19FN2O2/c1-14(2)26-20-13-16(11-12-25-20)23-21(15-7-9-17(24)10-8-15)22(27)18-5-3-4-6-19(18)28-23/h3-14H,1-2H3,(H,25,26)
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385650
PNG
(CHEMBL2041959)
Show SMILES CCCCNc1cc(ccn1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O2/c1-2-3-13-26-21-15-17(12-14-27-21)24-22(16-8-10-18(25)11-9-16)23(28)19-6-4-5-7-20(19)29-24/h4-12,14-15H,2-3,13H2,1H3,(H,26,27)
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385653
PNG
(CHEMBL2041962)
Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C26H23FN2O2/c27-19-12-10-17(11-13-19)24-25(30)21-8-4-5-9-22(21)31-26(24)18-14-15-28-23(16-18)29-20-6-2-1-3-7-20/h4-5,8-16,20H,1-3,6-7H2,(H,28,29)
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PubMed
n/an/a 34n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385654
PNG
(CHEMBL2042121)
Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccnc(NCc2ccccc2)c1
Show InChI InChI=1S/C27H19FN2O2/c28-21-12-10-19(11-13-21)25-26(31)22-8-4-5-9-23(22)32-27(25)20-14-15-29-24(16-20)30-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,29,30)
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PubMed
n/an/a 35n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385651
PNG
(CHEMBL2041960)
Show SMILES COCCCNc1cc(ccn1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3/c1-29-14-4-12-26-21-15-17(11-13-27-21)24-22(16-7-9-18(25)10-8-16)23(28)19-5-2-3-6-20(19)30-24/h2-3,5-11,13,15H,4,12,14H2,1H3,(H,26,27)
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PubMed
n/an/a 39n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385646
PNG
(CHEMBL2041963)
Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C25H21FN2O3/c26-18-7-5-16(6-8-18)23-24(29)20-3-1-2-4-21(20)31-25(23)17-9-12-27-22(15-17)28-19-10-13-30-14-11-19/h1-9,12,15,19H,10-11,13-14H2,(H,27,28)
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Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385652
PNG
(CHEMBL2041961)
Show SMILES CN(C)CCCNc1cc(ccn1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C25H24FN3O2/c1-29(2)15-5-13-27-22-16-18(12-14-28-22)25-23(17-8-10-19(26)11-9-17)24(30)20-6-3-4-7-21(20)31-25/h3-4,6-12,14,16H,5,13,15H2,1-2H3,(H,27,28)
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PubMed
n/an/a 761n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385647
PNG
(CHEMBL2041956)
Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C20H12FNO2/c21-15-7-5-13(6-8-15)18-19(23)16-3-1-2-4-17(16)24-20(18)14-9-11-22-12-10-14/h1-12H
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PubMed
n/an/a 813n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50385648
PNG
(CHEMBL2041957)
Show SMILES Fc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccnc(Cl)c1
Show InChI InChI=1S/C20H11ClFNO2/c21-17-11-13(9-10-23-17)20-18(12-5-7-14(22)8-6-12)19(24)15-3-1-2-4-16(15)25-20/h1-11H
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PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK after 40 mins by scintillation counting


J Med Chem 54: 7427-31 (2011)


Article DOI: 10.1021/jm200818j
BindingDB Entry DOI: 10.7270/Q2R78G7T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%