BDBM50234257 CHEMBL4089872

SMILES: Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F

InChI Key: InChIKey=DXWNVCUVNTUYTI-UHFFFAOYSA-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 = 50234257   

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)	BDBM50234257 (CHEMBL4089872) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F Show InChI InChI=1S/C21H14ClF2N3O/c22-16-11-15(21(28)20-13(16)4-3-9-26-20)19(27-18-5-1-2-8-25-18)14-7-6-12(23)10-17(14)24/h1-11,19,28H,(H,25,27)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair