BDBM50073677 N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoyl]-L-phenylalanyl-L-glutamic Acid
SMILES: NOC(=O)CC[C@H]([NH3+])C(S)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=AYYZOTZKOLYQBT-NRMMMPIQSA-O
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tetanus toxin (Clostridium tetani) | BDBM50073677 (N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Inhibition of tetanus neurotoxin (TeNt) | J Med Chem 42: 515-25 (1999) Article DOI: 10.1021/jm981066w BindingDB Entry DOI: 10.7270/Q2BC4075 | |||||||||||
More data for this Ligand-Target Pair |