BDBM50205673 CHEMBL3947464

SMILES: Cc1ccccc1-c1nccc2c3ccccc3[nH]c12

InChI Key: InChIKey=XUEVJYCRSUMYMN-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 = 50205673   

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))	BDBM50205673 (CHEMBL3947464) Show SMILES Cc1ccccc1-c1nccc2c3ccccc3[nH]c12 Show InChI InChI=1S/C18H14N2/c1-12-6-2-3-7-13(12)17-18-15(10-11-19-17)14-8-4-5-9-16(14)20-18/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	>1.00E+4	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