BDBM14297 US10676470, 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-KRWDZBQOSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Trypsin (Bos taurus (bovine)) | BDBM14297 (US10676470, Compound 23 | US9988375, Compound 23 |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase (Homo sapiens (Human)) | BDBM14297 (US10676470, Compound 23 | US9988375, Compound 23 |...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 7.30E+3 | -6.93 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera | Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... | Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lys-gingipain W83 (Porphyromonas gingivalis) | BDBM14297 (US10676470, Compound 23 | US9988375, Compound 23 |...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
BioCryst Pharmaceuticals | Assay 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... | Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2DB847M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lys-gingipain W83 (Porphyromonas gingivalis) | BDBM14297 (US10676470, Compound 23 | US9988375, Compound 23 |...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
CORTEXYME, INC. US Patent | Assay 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... | US Patent US10676470 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metacaspase (Trypanosoma brucei) | BDBM14297 (US10676470, Compound 23 | US9988375, Compound 23 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei MAC2 | Bioorg Med Chem Lett 20: 2001-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.099 BindingDB Entry DOI: 10.7270/Q2BG2P5T | |||||||||||
More data for this Ligand-Target Pair |