BDBM397443 US9988375, Compound 14::US9988375, Compound 15

SMILES NCCCCC(NC(=O)C2CCCN(C(=O)CCc1ccccc1)C2)C(=O)c4nc3ccccc3s4

InChI Key InChIKey=LZIQKKGKSQRLJR-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 397443   

TargetLys-gingipain W83(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM397443(US9988375, Compound 14 | US9988375, Compound 15)
Affinity DataIC50: 5.5nMAssay Description:The specific assay conditions were as follows. Buffer: pH=7.5, 100 mM Tris-HCl, 75 mM NaCl, 2.5 mM CaCl2, 10 mM cysteine, 1% DMSO after all additions...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/25/2020
Entry Details
Go to US Patent

TargetLys-gingipain W83(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM397443(US9988375, Compound 14 | US9988375, Compound 15)
Affinity DataIC50: 5.5nMAssay Description:The specific assay conditions were as follows. Buffer: pH=7.5, 100 mM Tris-HCl, 75 mM NaCl, 2.5 mM CaCl2, 10 mM cysteine, 1% DMSO after all additions...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/25/2020
Entry Details
Go to US Patent