BDBM50641167 CHEMBL5563081

SMILES Cc1cc([C@H]2CC[C@@H](N(C)CCc3ccc(Cl)cc3)CC2)on1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50641167   

TargetChitinase-3-like protein 2(Homo sapiens)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641167(CHEMBL5563081)
Affinity DataIC50: 90nMAssay 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
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitinase-3-like protein 1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641167(CHEMBL5563081)
Affinity DataIC50: 190nMAssay 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
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAcidic mammalian chitinase(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641167(CHEMBL5563081)
Affinity DataIC50: 1.55E+3nMAssay 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
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitotriosidase-1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641167(CHEMBL5563081)
Affinity DataIC50: 2.20E+3nMAssay 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
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitinase-3-like protein 1(Mus musculus)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641167(CHEMBL5563081)
Affinity DataIC50: 2.80E+3nMAssay Description:Displacement of biotinylated ((2R,5S)-5-(4-chlorobenzyl)-4-(1-(thiazol-2-yl)piperidin-4-yl)morpholin-2-yl)methyl 41-oxo-45-((3aS,4S,6aR)-2-oxohexahyd...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitinase-3-like protein 1(Human)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641167(CHEMBL5563081)
Affinity DataKd:  8.20E+3nMAssay 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 sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetChitinase-3-like protein 1(Mus musculus)
Molecure

Curated by ChEMBL
LigandPNGBDBM50641167(CHEMBL5563081)
Affinity DataKd: >1.00E+5nMAssay 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 sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed