BDBM50598680 CHEMBL5173517

SMILES CC(C)c1cnc(c2c1cc(nc2)Nc3ccnc(n3)N4CC[C@H]([C@@](C4)(C)F)O)N5CC(C5)CS(=O)(=O)C

InChI Key InChIKey=KBRHRZPPQDIMOA-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50598680   

TargetEpidermal growth factor receptor(Human)
Blueprint Medicines

Curated by ChEMBL
LigandPNGBDBM50598680(CHEMBL5173517)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of N-terminal GST tagged recombinant human EGFR L858R/T790M (669 to end residues) double mutant expressed in baculovirus infected Sf9 inse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Blueprint Medicines

Curated by ChEMBL
LigandPNGBDBM50598680(CHEMBL5173517)
Affinity DataIC50: 1.05E+3nMAssay Description:Inhibition of N-terminal GST tagged recombinant wild type human EGFR expressed in baculovirus infected Sf9 insect cells expression system using 5-FAM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Blueprint Medicines

Curated by ChEMBL
LigandPNGBDBM50598680(CHEMBL5173517)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of EGF stimulated EGFR L858R/T790M double mutant phosphorylation in human NCI-H1975 cells preincubated for 4 to 5 hrs followed by EGF stim...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Blueprint Medicines

Curated by ChEMBL
LigandPNGBDBM50598680(CHEMBL5173517)
Affinity DataIC50: 1.61E+3nMAssay Description:Inhibition of wild type EGFR in human A-431 cells preincubated for 4 to 5 hrs followed by EGF stimulation for 10 mins by AlphaLISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)