BDBM50641165 CHEMBL5574216

SMILES COCCN(CCc1ccc(Br)cc1)C1CCN(c2nccs2)CC1

InChI Key

Data  2 Kd

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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50641165   

TargetChitinase-3-like protein 1(Mus musculus)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641165(CHEMBL5574216)
Affinity DataKd:  1.70E+4nMAssay Description:Binding affinity to mouse His-tagged CHI3L1 assessed as dissociation constant incubated for 10 mins by NT647 fluorescent dye based microscale thermop...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitinase-3-like protein 1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641165(CHEMBL5574216)
Affinity DataKd:  3.50E+4nMAssay Description:Binding affinity to human His-tagged CHI3L1 (1 to 383 residues) expressed in HEK293F cells assessed as dissociation constant incubated for 10 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)