BDBM50653576 CHEMBL6141640

SMILES CCc1cn2nc(Nc3ccnc(N4CC[C@@H](OC)[C@@H](F)C4)n3)cc2n1[C@H]1CC[C@]2(CCN(C)C2=O)CC1

InChI Key InChIKey=ZTAGYRBALCTRQX-UHFFFAOYSA-N

Data  2 KI  1 IC50

  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 3 hits for monomerid = 50653576   

TargetEpidermal growth factor receptor(Human)
Schrodinger Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50653576BDBM50653576(CHEMBL6141640)
Affinity DataKi:  2.10nMAssay Description:Inhibition of GCS by cell-based assayMore data for this Ligand-Target Pair
Ligand Info
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 50653576BDBM50653576(CHEMBL6141640)
Affinity DataKi:  950nMAssay Description:Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assayMore data for this Ligand-Target Pair
Ligand Info
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 50653576BDBM50653576(CHEMBL6141640)
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 Info
In Depth
Date in BDB:
6/3/2026
Entry Details
PubMed