BDBM50099429 CHEMBL3339004

SMILES: CCCCN(CCCC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1

InChI Key: InChIKey=IJEFJFYDAQSXFA-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 = 50099429   

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))	BDBM50099429 (CHEMBL3339004) Show SMILES CCCCN(CCCC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-3-5-18-26(19-6-4-2)20-21-28-24-15-13-23(14-16-24)25(27)17-12-22-10-8-7-9-11-22/h7-17H,3-6,18-21H2,1-2H3/b17-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.79E+5	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))	BDBM50099429 (CHEMBL3339004) Show SMILES CCCCN(CCCC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-3-5-18-26(19-6-4-2)20-21-28-24-15-13-23(14-16-24)25(27)17-12-22-10-8-7-9-11-22/h7-17H,3-6,18-21H2,1-2H3/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.53E+5	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