BDBM50383524 CHEMBL2032253

SMILES: ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(F)cc1

InChI Key: InChIKey=FVRUOOIARSHCJN-VMPITWQZSA-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 = 50383524   

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)	BDBM50383524 (CHEMBL2032253) Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(F)cc1 Show InChI InChI=1S/C15H11ClFNO2/c16-14-9-12(10-3-6-13(17)7-4-10)2-1-11(14)5-8-15(19)18-20/h1-9,20H,(H,18,19)/b8-5+	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	9.49E+3	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