BDBM50073679 (S)-1-{(S)-[(S)-1-[(S)-1-Benzylcarbamoyl-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-mercapto-methyl}-3-sulfamoyl-propyl-ammonium

SMILES: NS(=O)(=O)CC[C@H]([NH3+])[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1

InChI Key: InChIKey=SOAVLPMWJJWLGT-ZJZGAYNASA-O

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073679   

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)	BDBM50073679 ((S)-1-{(S)-[(S)-1-[(S)-1-Benzylcarbamoyl-2-(3H-imi...) Show SMILES NS(=O)(=O)CC[C@H]([NH3+])[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H35N7O6S2/c28-21(10-11-42(29,39)40)24(41)27(38)34-22(12-17-6-8-20(35)9-7-17)26(37)33-23(13-19-15-30-16-32-19)25(36)31-14-18-4-2-1-3-5-18/h1-9,15-16,21-24,35,41H,10-14,28H2,(H,30,32)(H,31,36)(H,33,37)(H,34,38)(H2,29,39,40)/p+1/t21-,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	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
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