BDBM50383538 CHEMBL2032259

SMILES: ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=NCUPWVLXCLGSLG-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 = 50383538   

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)	BDBM50383538 (CHEMBL2032259) Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3NO2/c17-14-9-12(5-4-10(14)6-7-15(22)21-23)11-2-1-3-13(8-11)16(18,19)20/h1-9,23H,(H,21,22)/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	3.82E+4	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