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PubMed code 17000106

Compile data set for download or QSAR
Found 4 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))
BDBM50195453
PNG
(5-(4-(4-bromobenzyloxy)-3-methoxybenzylidene)imida...)
Show SMILES COc1cc(\C=C2\NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C18H15BrN2O4/c1-24-16-9-12(8-14-17(22)21-18(23)20-14)4-7-15(16)25-10-11-2-5-13(19)6-3-11/h2-9H,10H2,1H3,(H2,20,21,22,23)/b14-8+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.60E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 by fluorescence quenching


Bioorg Med Chem Lett 16: 6281-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.038
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50195448
PNG
(1-(4-bromophenyl)-2-(5-(furan-2-yl)-4H-1,2,4-triaz...)
Show SMILES Brc1ccc(cc1)C(=O)CSc1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C14H10BrN3O2S/c15-10-5-3-9(4-6-10)11(19)8-21-14-16-13(17-18-14)12-2-1-7-20-12/h1-7H,8H2,(H,16,17,18)
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UniChem
Article
PubMed
n/an/an/a 4.50E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 by fluorescence quenching


Bioorg Med Chem Lett 16: 6281-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.038
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50195450
PNG
(2-(4-((4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H...)
Show SMILES [#7]-[#6](=O)-[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1
Show InChI InChI=1S/C13H11N3O4S/c14-10(17)6-20-8-3-1-7(2-4-8)5-9-11(18)15-13(21)16-12(9)19/h1-5H,6H2,(H2,14,17)(H2,15,16,18,19,21)
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UniChem
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PubMed
n/an/an/a 2.00E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 by fluorescence quenching


Bioorg Med Chem Lett 16: 6281-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.038
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50195456
PNG
(CHEMBL221271 | N'-nitro-2-((5-(3-nitrophenyl)furan...)
Show SMILES NC(N=NCc1ccc(o1)-c1cccc(c1)[N+]([O-])=O)=N[N+]([O-])=O |w:19.21,3.3|
Show InChI InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-4-5-11(23-10)8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H2,13,16)
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UniChem
Article
PubMed
n/an/an/a 1.30E+4n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 by fluorescence quenching


Bioorg Med Chem Lett 16: 6281-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.038
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%