BDBM50234253 CHEMBL4090577

SMILES: Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccccc1

InChI Key: InChIKey=VZSDUOWBVDUKPZ-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 = 50234253   

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)	BDBM50234253 (CHEMBL4090577) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccccc1 Show InChI InChI=1S/C20H15ClN4O/c21-16-12-15(19(26)18-14(16)8-4-9-22-18)17(13-6-2-1-3-7-13)25-20-23-10-5-11-24-20/h1-12,17,26H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	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