BDBM50209758 CHEMBL3884143

SMILES Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1

InChI Key InChIKey=QXQGHCJUTRTRLJ-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50209758   

TargetDual specificity mitogen-activated protein kinase kinase 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50209758(CHEMBL3884143)
Affinity DataIC50: 9.80nMAssay Description:Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50209758(CHEMBL3884143)
Affinity DataIC50: 3.14E+3nMAssay Description:Inhibition of full length recombinant human GST-tagged ERK2 expressed in Escherichia coli using Ser/Thr 03 as substrate after 1 hr by Z'-Lyte assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMitogen-activated protein kinase kinase kinase 7(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50209758(CHEMBL3884143)
Affinity DataIC50: 7.30nMAssay Description:Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase 7(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50209758(CHEMBL3884143)
Affinity DataIC50: 7.30nMAssay Description:Inhibition of TAK1 (unknown origin) by LanthaScreen assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)