BDBM616499 US20230278996, Example 8.

SMILES C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4cc(ccn4)Cl

InChI Key InChIKey=GQUVGWGVUVRLTF-UHFFFAOYSA-N

Data  2 IC50

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 = 616499   

TargetChitinase-3-like protein 1(Human)
Molecure

US Patent
LigandPNGBDBM616499(US20230278996, Example 8.)
Affinity DataIC50: 100nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetChitinase-3-like protein 1(Human)
Molecure

US Patent
LigandPNGBDBM616499(US20230278996, Example 8.)
Affinity DataIC50: 100nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)