BDBM50361667 CHEMBL1940617

SMILES: NCCCCCC=Nc1cc(O)c2ccccc2c1O

InChI Key: InChIKey=UWUFTBBVFQHPGQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50361667   

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))	BDBM50361667 (CHEMBL1940617) Show SMILES NCCCCCC=Nc1cc(O)c2ccccc2c1O |w:7.7| Show InChI InChI=1S/C16H20N2O2/c17-9-5-1-2-6-10-18-14-11-15(19)12-7-3-4-8-13(12)16(14)20/h3-4,7-8,10-11,19-20H,1-2,5-6,9,17H2	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	2.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE using butyrylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50361667 (CHEMBL1940617) Show SMILES NCCCCCC=Nc1cc(O)c2ccccc2c1O |w:7.7| Show InChI InChI=1S/C16H20N2O2/c17-9-5-1-2-6-10-18-14-11-15(19)12-7-3-4-8-13(12)16(14)20/h3-4,7-8,10-11,19-20H,1-2,5-6,9,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair