BDBM50099418 CHEMBL3338994

SMILES: CN(C)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1

InChI Key: InChIKey=KAPNBNVSRUAOSY-SFQUDFHCSA-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 = 50099418   

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))	BDBM50099418 (CHEMBL3338994) Show SMILES CN(C)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-24(2)18-8-3-4-9-19-26-22-15-13-21(14-16-22)23(25)17-12-20-10-6-5-7-11-20/h5-7,10-17H,3-4,8-9,18-19H2,1-2H3/b17-12+	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	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099418 (CHEMBL3338994) Show SMILES CN(C)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C23H29NO2/c1-24(2)18-8-3-4-9-19-26-22-15-13-21(14-16-22)23(25)17-12-20-10-6-5-7-11-20/h5-7,10-17H,3-4,8-9,18-19H2,1-2H3/b17-12+	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	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair