BDBM50433336 CHEMBL2376588

SMILES: ONC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccn1

InChI Key: InChIKey=AOIWZUGRFOOAPY-UHFFFAOYSA-N

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 = 50433336   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50433336 (CHEMBL2376588) Show SMILES ONC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C19H15N3O3/c23-18(21-17-11-5-6-12-20-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)19(24)22-25/h1-12,25H,(H,22,24)(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A light chain (1 to 429 amino acid) using Abz-Thr-dArg-Ile-Asp-Glu-Ala-Asn-Gln-Arg-Ala-Thr-Lys-Nle-Lys(Dnp)-...				Bioorg Med Chem Lett 23: 2505-11 (2013) Article DOI: 10.1016/j.bmcl.2013.03.030 BindingDB Entry DOI: 10.7270/Q2PR7XC5
					More data for this Ligand-Target Pair