BDBM50653548 CHEMBL6091992

SMILES COC1CCN(c2nccc(Nc3cc4n(C(C)C)c(C)cn4n3)n2)CC1

InChI Key InChIKey=ZZKCZHHGEXPUGC-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50653548   

TargetEpidermal growth factor receptor(Human)
Schrodinger Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50653548BDBM50653548(CHEMBL6091992)
Affinity DataKi:  180nMAssay Description:Inhibition of EphB4 autophosphorylation by cell based assayMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/3/2026
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Schrodinger Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50653548BDBM50653548(CHEMBL6091992)
Affinity DataKi:  8.20E+3nMAssay Description:Inhibition of GCS by cell-based assayMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/3/2026
Entry Details
PubMed