BDBM50234259 CHEMBL4099530

SMILES: Cc1ccc2ccc(C(Nc3cccnc3)c3ccccc3)c(O)c2n1

InChI Key: InChIKey=OMHFMFOFUJAPSB-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 = 50234259   

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)	BDBM50234259 (CHEMBL4099530) Show SMILES Cc1ccc2ccc(C(Nc3cccnc3)c3ccccc3)c(O)c2n1 Show InChI InChI=1S/C22H19N3O/c1-15-9-10-17-11-12-19(22(26)21(17)24-15)20(16-6-3-2-4-7-16)25-18-8-5-13-23-14-18/h2-14,20,25-26H,1H3	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+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