BDBM50383552 CHEMBL2032383

SMILES: COc1ncccc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=ISBQCHMDSNEMHW-VOTSOKGWSA-N

Data: 1 IC50

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 = 50383552   

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)	BDBM50383552 (CHEMBL2032383) Show SMILES COc1ncccc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C15H13ClN2O3/c1-21-15-12(3-2-8-17-15)11-5-4-10(13(16)9-11)6-7-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b7-6+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Fox Chase Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis				Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX
					More data for this Ligand-Target Pair