BDBM50015635 CHEMBL3260555

SMILES: Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=METQHUQODPPTSW-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 = 50015635   

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
Cholinesterases (Homo sapiens (Human))	BDBM50015635 (CHEMBL3260555) Show SMILES Oc1ccccc1C1=Nc2ccccc2SC(C1)c1ccc(cc1)[N+]([O-])=O |t:8| Show InChI InChI=1S/C21H16N2O3S/c24-19-7-3-1-5-16(19)18-13-21(14-9-11-15(12-10-14)23(25)26)27-20-8-4-2-6-17(20)22-18/h1-12,21,24H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...				Eur J Med Chem 80: 228-42 (2014) Article DOI: 10.1016/j.ejmech.2014.04.018 BindingDB Entry DOI: 10.7270/Q2JM2C6S
					More data for this Ligand-Target Pair