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PDB code 3MBL

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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
Dual specificity mitogen-activated protein kinase kinase 1

  (321/322 > 99%)
(Homo sapiens (Human))
BDBM50321564
PNG
(5-acetyl-2-(2-fluoro-4-iodophenylamino)-N-(2-hydro...)
Show SMILES CC(=O)c1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n1C
Show InChI InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24)
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MMDB

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MMDB
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n/an/a 18n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation using IPTTPITTYFFFK-5FAM-COOH as substrate by fluorescent polarization assay


Bioorg Med Chem Lett 22: 2411-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.026
BindingDB Entry DOI: 10.7270/Q2BR8T5H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1

  (321/322 > 99%)
(Homo sapiens (Human))
BDBM50321564
PNG
(5-acetyl-2-(2-fluoro-4-iodophenylamino)-N-(2-hydro...)
Show SMILES CC(=O)c1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n1C
Show InChI InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by cascade assay method


Bioorg Med Chem Lett 20: 4156-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.058
BindingDB Entry DOI: 10.7270/Q2SF2X4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output