BDBM616581 US20230278996, Example 87.

SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1ccccn1

InChI Key InChIKey=FIGSRWGVFPFSKA-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 4 hits for monomerid = 616581   

TargetAcidic mammalian chitinase(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM616581(US20230278996, Example 87.)
Affinity DataIC50: 134nMAssay Description:Inhibition of human C-terminal His tagged AMCase expressed in CHO-K1 cells using 4-methylumbelliferyl beta-D-N,N'-diacetylchitobioside hydrate as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitinase-3-like protein 1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM616581(US20230278996, Example 87.)
Affinity DataIC50: 191nMAssay Description:Displacement of biotinylated ((2R,5S)-5-(4-chlorobenzyl)-4-(1-(pyridin-2-yl)piperidin-4-yl)morpholin-2-yl)methyl 41-oxo-45-((3aS,4S,6aR)-2-oxohexahyd...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitotriosidase-1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM616581(US20230278996, Example 87.)
Affinity DataIC50: 530nMAssay Description:Inhibition of human C-terminal His tagged CHIT1 expressed in CHO-K1 cells using 4-methylumbelliferyl beta-D-N,N',N''-triacetylchitotrioside as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitinase-3-like protein 1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM616581(US20230278996, Example 87.)
Affinity DataIC50: 550nMAssay Description:The standard experimental protocol for YKL-40 indirect binding AlphaScreen assay comprised of 5 step additions to wells of a 96 well plate: (i) in th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2023
Entry Details
US Patent