BDBM50205670 CHEMBL3910719

SMILES: COc1ccc2[nH]c3c(nccc3c2c1)-c1ccccc1

InChI Key: InChIKey=XWJQLVFNTGIXBX-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 = 50205670   

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))	BDBM50205670 (CHEMBL3910719) Show SMILES COc1ccc2[nH]c3c(nccc3c2c1)-c1ccccc1 Show InChI InChI=1S/C18H14N2O/c1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12/h2-11,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Boston Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) by spectrophotometric analysis based Ellman's assay				Bioorg Med Chem Lett 27: 232-236 (2017) Article DOI: 10.1016/j.bmcl.2016.11.067 BindingDB Entry DOI: 10.7270/Q2NC636H
					More data for this Ligand-Target Pair