BDBM50653561 CHEMBL6142591

SMILES CO[C@@H]1CCN(c2nccc(Nc3cc4n(C5CCC6(CC5)OCCO6)c(C)cn4n3)n2)C[C@@H]1F

InChI Key InChIKey=GAQRUWQPUKBNTR-UHFFFAOYSA-N

Data  2 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50653561   

TargetEpidermal growth factor receptor(Human)
Schrodinger Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50653561BDBM50653561(CHEMBL6142591)
Affinity DataKi:  5.80nMAssay 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 50653561BDBM50653561(CHEMBL6142591)
Affinity DataKi:  1.80E+3nMAssay Description:Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/3/2026
Entry Details
PubMed
TargetEpidermal growth factor receptor(Mouse)
Schrodinger Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50653561BDBM50653561(CHEMBL6142591)
Affinity DataIC50: 4.00E+4nMAssay Description:Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/3/2026
Entry Details
PubMed