BDBM50189882 CHEMBL3828595

SMILES: Clc1cc2Cc3cc(ccc3-c2c(Cl)c1)-n1c(=O)c2cc(Cl)ccc2c2ccc(Cl)cc2c1=O

InChI Key: InChIKey=QOISMTJCLHKVAI-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 = 50189882   

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 E (Clostridium botulinum)	BDBM50189882 (CHEMBL3828595) Show SMILES Clc1cc2Cc3cc(ccc3-c2c(Cl)c1)-n1c(=O)c2cc(Cl)ccc2c2ccc(Cl)cc2c1=O Show InChI InChI=1S/C27H13Cl4NO2/c28-15-1-4-20-21-5-2-16(29)11-23(21)27(34)32(26(33)22(20)10-15)18-3-6-19-13(9-18)7-14-8-17(30)12-24(31)25(14)19/h1-6,8-12H,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Brookhaven National Laboratory Curated by ChEMBL					Assay Description Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis				Bioorg Med Chem 24: 3978-3985 (2016) BindingDB Entry DOI: 10.7270/Q2VT1V28
					More data for this Ligand-Target Pair