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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50010247   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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MMDB
Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST-tagged C-terminal His6-tagged MEK1 expressed in Escherichia coli using myelin basic protei...


Bioorg Med Chem 24: 4652-4659 (2016)


Article DOI: 10.1016/j.bmc.2016.08.002
BindingDB Entry DOI: 10.7270/Q2MP56SS
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50536790
PNG
(CHEMBL4575118)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)NOCc1ccccc1F)-c1ccccc1
Show InChI InChI=1S/C24H20FN3O2/c1-17-11-13-18(14-12-17)23-21(15-28(26-23)20-8-3-2-4-9-20)24(29)27-30-16-19-7-5-6-10-22(19)25/h2-15H,16H2,1H3,(H,27,29)
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Anhui Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST-tagged C-terminal His6-tagged MEK1 expressed in Escherichia coli using myelin basic protei...


Bioorg Med Chem 24: 4652-4659 (2016)


Article DOI: 10.1016/j.bmc.2016.08.002
BindingDB Entry DOI: 10.7270/Q2MP56SS
More data for this
Ligand-Target Pair