BDBM50383554 CHEMBL2032385

SMILES: COc1ncc(cc1Cl)-c1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=GIDDCXXYFMKRQG-SNAWJCMRSA-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 = 50383554   

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)	BDBM50383554 (CHEMBL2032385) Show SMILES COc1ncc(cc1Cl)-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C15H12Cl2N2O3/c1-22-15-13(17)7-11(8-18-15)10-3-2-9(12(16)6-10)4-5-14(20)19-21/h2-8,21H,1H3,(H,19,20)/b5-4+	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	>1.00E+5	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