BDBM397462 US10676470, Compound 41::US11332464, Compound 41::US9988375, Compound 41

SMILES COC1(CCCCC1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1

InChI Key InChIKey=NHPCUBJABMDUNU-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 397462   

TargetLys-gingipain W83(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM397462(US9988375, Compound 41 | US10676470, Compound 41 |...)
Affinity DataIC50: 17.5nMAssay 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
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TargetLys-gingipain W83(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM397462(US9988375, Compound 41 | US10676470, Compound 41 |...)
Affinity DataIC50: 17.5nMAssay 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
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TargetLys-gingipain(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM397462(US9988375, Compound 41 | US10676470, Compound 41 |...)
Affinity DataIC50: 17.5nMAssay Description:Buffer: pH=7.5, 100 mM Tris-HCl, 75 mM NaCl, 2.5 mM CaCl2, 10 mM cysteine, 1% DMSO after all additions. Protein: 0.1 nM Kgp, isolated from culture of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details
Go to US Patent