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PubMed code 18835158

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 1


(Homo sapiens (Human))
BDBM50275619
PNG
(3-benzyl-5-(4-hydroxybenzylidene)-2-thioxothiazoli...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C17H13NO2S2/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10-
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UniChem
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275622
PNG
(CHEMBL487154 | N,N'-(1-phenyl-1H-1,2,4-triazole-3,...)
Show SMILES O=C(Nc1nc(NC(=O)c2ccccc2)n(n1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N5O2/c28-19(16-10-4-1-5-11-16)23-21-25-22(24-20(29)17-12-6-2-7-13-17)27(26-21)18-14-8-3-9-15-18/h1-15H,(H2,23,24,25,26,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275620
PNG
(3-benzyl-5-(4-hydroxy-3-methoxybenzylidene)-2-thio...)
Show SMILES COc1cc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C18H15NO3S2/c1-22-15-9-13(7-8-14(15)20)10-16-17(21)19(18(23)24-16)11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3/b16-10-
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n/an/a 1.43E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275656
PNG
(5-(4-methylbenzyloxy)-2-(4-phenyl-1H-pyrazol-3-yl)...)
Show SMILES Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)cc1
Show InChI InChI=1S/C23H20N2O2/c1-16-7-9-17(10-8-16)15-27-19-11-12-20(22(26)13-19)23-21(14-24-25-23)18-5-3-2-4-6-18/h2-14,26H,15H2,1H3,(H,24,25)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275623
PNG
(CHEMBL487356 | N-(3-benzamido-1-phenyl-1H-1,2,4-tr...)
Show SMILES O=C(Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1)c1ccco1
Show InChI InChI=1S/C20H15N5O3/c26-17(14-8-3-1-4-9-14)21-19-23-20(22-18(27)16-12-7-13-28-16)25(24-19)15-10-5-2-6-11-15/h1-13H,(H2,21,22,23,24,26,27)
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n/an/a 1.83E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM15239
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275621
PNG
(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(3-phenylally...)
Show SMILES O=C1N(Cc2ccc3OCOc3c2)C(=S)S\C1=C/C=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c22-19-18(8-4-7-14-5-2-1-3-6-14)26-20(25)21(19)12-15-9-10-16-17(11-15)24-13-23-16/h1-11H,12-13H2/b7-4+,18-8-
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n/an/a 2.37E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275655
PNG
(CHEMBL486540 | N-(5-cinnamamido-1-phenyl-1H-1,2,4-...)
Show SMILES O=C(Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C24H19N5O2/c30-21(17-16-18-10-4-1-5-11-18)25-24-27-23(26-22(31)19-12-6-2-7-13-19)28-29(24)20-14-8-3-9-15-20/h1-17H,(H2,25,26,27,28,30,31)/b17-16+
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PubMed
n/an/a 2.56E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275657
PNG
(5-(2-fluorobenzyloxy)-2-(4-(2-methoxyphenyl)-1H-py...)
Show SMILES COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2F)cc1O
Show InChI InChI=1S/C23H19FN2O3/c1-28-22-9-5-3-7-17(22)19-13-25-26-23(19)18-11-10-16(12-21(18)27)29-14-15-6-2-4-8-20(15)24/h2-13,27H,14H2,1H3,(H,25,26)
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PC cid
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UniChem
Article
PubMed
n/an/a 2.74E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%