BDBM50234248 CHEMBL4068440

SMILES: Cc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1

InChI Key: InChIKey=FXKPJEBJBJBKQS-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 = 50234248   

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)	BDBM50234248 (CHEMBL4068440) Show SMILES Cc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1 Show InChI InChI=1S/C22H18FN3O/c1-14-4-5-16-8-11-19(22(27)21(16)25-14)20(15-6-9-17(23)10-7-15)26-18-3-2-12-24-13-18/h2-13,20,26-27H,1H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	800	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