Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tetanus toxin' and Ligand = 'BDBM50073674'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tetanus toxin (Clostridium tetani)	BDBM50073674 ((S)-1-{(S)-[(S)-1-[(S)-1-Carboxy-2-(3H-imidazol-4-...) 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)=O Show InChI InChI=1S/C20H28N6O7S2/c21-14(5-6-35(22,32)33)17(34)19(29)25-15(7-11-1-3-13(27)4-2-11)18(28)26-16(20(30)31)8-12-9-23-10-24-12/h1-4,9-10,14-17,27,34H,5-8,21H2,(H,23,24)(H,25,29)(H,26,28)(H,30,31)(H2,22,32,33)/p+1/t14-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+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