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PubMed code 15999996

Compile data set for download or QSAR
Found 3 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))
BDBM50169956
PNG
(2-(Benzooxazol-2-ylsulfanyl)-N-(4-tetrazol-1-yl-ph...)
Show SMILES O=C(CSc1nc2ccccc2o1)Nc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C16H12N6O2S/c23-15(9-25-16-19-13-3-1-2-4-14(13)24-16)18-11-5-7-12(8-6-11)22-10-17-20-21-22/h1-8,10H,9H2,(H,18,23)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Dissociation constant for ERK2 kinase


J Med Chem 48: 4586-95 (2005)


Article DOI: 10.1021/jm0501174
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50169955
PNG
(3-(2-Amino-ethyl)-5-[1-(4-ethoxy-phenyl)-meth-(Z)-...)
Show SMILES CCOc1ccc(\C=C2/SC(=O)N(CCN)C2=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-
PDB
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Dissociation constant for ERK2 kinase


J Med Chem 48: 4586-95 (2005)


Article DOI: 10.1021/jm0501174
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50169957
PNG
(CHEMBL190710 | N-[4-(2,3-Dihydro-benzo[1,4]dioxin-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1nc(cs1)-[#6]-1-[#6]-[#8]-c2ccccc2-[#8]-1
Show InChI InChI=1S/C12H12N4O2S/c13-11(14)16-12-15-7(6-19-12)10-5-17-8-3-1-2-4-9(8)18-10/h1-4,6,10H,5H2,(H4,13,14,15,16)
PDB
MMDB

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KEGG

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CHEMBL
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
Dissociation constant for ERK2 kinase


J Med Chem 48: 4586-95 (2005)


Article DOI: 10.1021/jm0501174
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%