BDBM50234817 CHEMBL4081805

SMILES: COc1cc2O\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC

InChI Key: InChIKey=BQJUWCUFUNRLRW-JJFYIABZSA-N

Data: 3 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 3 hits for monomerid = 50234817   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50234817 (CHEMBL4081805) Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H26N2O5/c1-24-6-8-25(9-7-24)14-16-5-4-15(10-18(16)26)11-22-23(27)17-12-20(28-2)21(29-3)13-19(17)30-22/h4-5,10-13,26H,6-9,14H2,1-3H3/b22-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos...				Eur J Med Chem 126: 762-775 (2017) BindingDB Entry DOI: 10.7270/Q2NG4SW1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234817 (CHEMBL4081805) Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H26N2O5/c1-24-6-8-25(9-7-24)14-16-5-4-15(10-18(16)26)11-22-23(27)17-12-20(28-2)21(29-3)13-19(17)30-22/h4-5,10-13,26H,6-9,14H2,1-3H3/b22-11-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method				Eur J Med Chem 126: 762-775 (2017) BindingDB Entry DOI: 10.7270/Q2NG4SW1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234817 (CHEMBL4081805) Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H26N2O5/c1-24-6-8-25(9-7-24)14-16-5-4-15(10-18(16)26)11-22-23(27)17-12-20(28-2)21(29-3)13-19(17)30-22/h4-5,10-13,26H,6-9,14H2,1-3H3/b22-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method				Eur J Med Chem 126: 762-775 (2017) BindingDB Entry DOI: 10.7270/Q2NG4SW1
					More data for this Ligand-Target Pair