BDBM14297 US10676470, Compound 23::US11332464, Compound 23::US9988375, Compound 23::benzthiazole analog 1::benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]carbamate

SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1

InChI Key InChIKey=SPRIJBKIYWTZNZ-UHFFFAOYSA-N

Data  2 KI  4 IC50

  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 6 hits for monomerid = 14297   

TargetMetacaspase-2(Trypanosoma brucei)
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM14297(benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of Trypanosoma brucei MAC2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetLys-gingipain W83(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM14297(benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1...)
Affinity DataIC50: 125nMAssay 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
LigandPNGBDBM14297(benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1...)
Affinity DataIC50: 175nMAssay 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

TargetLys-gingipain(Porphyromonas gingivalis)
Cortexyme

US Patent
LigandPNGBDBM14297(benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1...)
Affinity DataIC50: 175nMAssay 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

TargetSerine protease 1(Bovine)
Celera

LigandPNGBDBM14297(benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1...)
Affinity DataKi:  690nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2007
Entry Details Article
PubMed
TargetTryptase beta-2(Human)
Celera

LigandPNGBDBM14297(benzyl N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1...)
Affinity DataKi:  7.30E+3nM ΔG°:  -6.93kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2007
Entry Details Article
PubMed