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PubMed code 20518551

Compile data set for download or QSAR
Found 10 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))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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Article
PubMed
n/an/a 35n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93403
PNG
(MAP Kinase Inhibitor, 2)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
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Article
PubMed
n/an/a 70n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93407
PNG
(MAP Kinase Inhibitor, 11)
Show SMILES Clc1ccc(cc1Cl)-c1cc([nH]c(=O)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H9BrCl2N2O/c19-12-4-1-10(2-5-12)17-8-13(14(9-22)18(24)23-17)11-3-6-15(20)16(21)7-11/h1-8H,(H,23,24)
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Article
PubMed
n/an/a 120n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93405
PNG
(MAP Kinase Inhibitor, 7)
Show SMILES Nc1nc(cc(-c2ccc(Br)cc2)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H11Br2N3/c19-13-5-1-11(2-6-13)15-9-17(23-18(22)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H2,22,23)
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Article
PubMed
n/an/a 760n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93406
PNG
(MAP Kinase Inhibitor, 8)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc([nH]c(=O)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN2O4/c1-26-18-8-13(9-19(27-2)20(18)28-3)15-10-17(24-21(25)16(15)11-23)12-4-6-14(22)7-5-12/h4-10H,1-3H3,(H,24,25)
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Article
PubMed
n/an/a 1.22E+3n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93401
PNG
(MAP Kinase Inhibitor, 1)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(nc(N)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrN3O3/c1-26-18-8-13(9-19(27-2)20(18)28-3)15-10-17(25-21(24)16(15)11-23)12-4-6-14(22)7-5-12/h4-10H,1-3H3,(H2,24,25)
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93409
PNG
(MAP Kinase Inhibitor, 6)
Show SMILES Nc1nc(cc(-c2c[nH]c3ccccc23)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H13BrN4/c21-13-7-5-12(6-8-13)19-9-15(16(10-22)20(23)25-19)17-11-24-18-4-2-1-3-14(17)18/h1-9,11,24H,(H2,23,25)
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Article
PubMed
n/an/a 2.65E+3n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93404
PNG
(MAP Kinase Inhibitor, 4)
Show SMILES Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H10BrCl2N3/c19-12-4-1-10(2-5-12)17-8-13(14(9-22)18(23)24-17)11-3-6-15(20)16(21)7-11/h1-8H,(H2,23,24)
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Article
PubMed
n/an/a 3.68E+3n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93402
PNG
(MAP Kinase Inhibitor, 3)
Show SMILES Nc1nc(cc(-c2cccnc2)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H11BrN4/c18-13-5-3-11(4-6-13)16-8-14(12-2-1-7-21-10-12)15(9-19)17(20)22-16/h1-8,10H,(H2,20,22)
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Article
PubMed
n/an/a 3.70E+3n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM93408
PNG
(MAP Kinase Inhibitor, 14)
Show SMILES Brc1ccc(cc1)-c1cc(-c2ccc(Br)cc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H10Br2N2O/c19-13-5-1-11(2-6-13)15-9-17(22-18(23)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H,22,23)
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Article
PubMed
n/an/a 4.40E+3n/an/an/an/a7.537



German University in Cairo



Assay Description
Kinase assay using p38alpha MAP.


J Comb Chem 12: 559-65 (2010)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2FT8JN3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%