BDBM397457 US10676470, Compound 35::US9988375, Compound 34

SMILES NCCCC[C@@H](NC(=O)C1CCCO1)C(=O)c1nc2ccccc2s1

InChI Key InChIKey=PEAGDMNORWSPOH-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 = 397457   

TargetLys-gingipain W83(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM397457(US9988375, Compound 34 | US10676470, Compound 35)
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
In Depth
Date in BDB:
4/25/2020
Entry Details
Go to US Patent

TargetLys-gingipain W83(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM397457(US9988375, Compound 34 | US10676470, Compound 35)
Affinity DataIC50: 5.5nMAssay Description:The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2021
Entry Details
Go to US Patent