BDBM50157358 CHEMBL3780553

SMILES CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl

InChI Key InChIKey=MOSAREMUBHMKIV-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50157358   

TargetEpidermal growth factor receptor(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50157358(CHEMBL3780553)
Affinity DataKi:  37nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50157358(CHEMBL3780553)
Affinity DataKi:  262nMAssay Description:Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)