BDBM616550 US20230278996, Example 56.

SMILES Clc1ccc(C[C@H]2CN3CCCC[C@H]3CN2C2CCN(CC2)c2ccccn2)cc1

InChI Key InChIKey=AOSKFYIBNCPVDO-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 616550   

TargetChitinase-3-like protein 1(Human)
Molecure

US Patent
LigandPNGBDBM616550(US20230278996, Example 56.)
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

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

Curated by ChEMBL
LigandPNGBDBM616550(US20230278996, Example 56.)
Affinity DataKd:  2.80E+3nMAssay 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
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed