BDBM50420692 CHEMBL2087076

SMILES OCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F

InChI Key InChIKey=YMRXJLXWVAGVBT-UHFFFAOYSA-N

Data  1 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50420692   

TargetDual specificity mitogen-activated protein kinase kinase 1(Human)
Argenta Discovery

Curated by ChEMBL

LigandBDBM50420692(CHEMBL2087076)Copy SMILESCopy InChI

Affinity DataIC50:  13nMAssay Description:Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetDual specificity mitogen-activated protein kinase kinase 1(Human)
Argenta Discovery

Curated by ChEMBL

LigandBDBM50420692(CHEMBL2087076)Copy SMILESCopy InChI

Affinity DataEC50:  0.400nMAssay Description:Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetDual specificity mitogen-activated protein kinase kinase 1(Human)
Argenta Discovery

Curated by ChEMBL

LigandBDBM50420692(CHEMBL2087076)Copy SMILESCopy InChI

Affinity DataEC50:  0.200nMAssay Description:Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL