BDBM50417150 CHEMBL4461072

SMILES CCN(CC)C(=O)C(\C#N)=C(/O)c1cc(O)c(O)c(c1)[N+]([O-])=O

InChI Key InChIKey=AQEGWQCIVFGGMQ-UHFFFAOYSA-N

Data  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 = 50417150   

TargetCatechol O-methyltransferase(Human)
Rpxds

US Patent
LigandChemical structure of BindingDB Monomer ID 50417150BDBM50417150(CHEMBL4461072 | US20260035341, Example Ref1)
Affinity DataIC50: 500nMAssay Description:TRKA co-expressed with p75: The assays are based upon DiscoveRx's proprietary Enzyme Fragment Complementation (EFC) technology. In the case of the TR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2026
Entry Details US Patent

TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50417150BDBM50417150(CHEMBL4461072 | US20260035341, Example Ref1)
Affinity DataIC50: 500nMAssay Description:Inhibition of FTO (unknown origin) demethylation activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
University College London

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50417150BDBM50417150(CHEMBL4461072 | US20260035341, Example Ref1)
Affinity DataIC50: 800nMAssay Description:TRKA co-expressed with p75: The assays are based upon DiscoveRx's proprietary Enzyme Fragment Complementation (EFC) technology. In the case of the TR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2026
Entry Details US Patent