BDBM50234825 CHEMBL4068377

SMILES: CCN(CC)Cc1cc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc(CN(CC)CC)c1O

InChI Key: InChIKey=HTEGNDDNGHEYPP-MXAYSNPKSA-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 = 50234825   

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 (Electrophorus electricus (Electric eel))	BDBM50234825 (CHEMBL4068377) Show SMILES CCN(CC)Cc1cc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc(CN(CC)CC)c1O Show InChI InChI=1S/C27H36N2O5/c1-7-28(8-2)16-19-11-18(12-20(26(19)30)17-29(9-3)10-4)13-25-27(31)21-14-23(32-5)24(33-6)15-22(21)34-25/h11-15,30H,7-10,16-17H2,1-6H3/b25-13-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3.46E+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 (Rattus norvegicus (rat))	BDBM50234825 (CHEMBL4068377) Show SMILES CCN(CC)Cc1cc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc(CN(CC)CC)c1O Show InChI InChI=1S/C27H36N2O5/c1-7-28(8-2)16-19-11-18(12-20(26(19)30)17-29(9-3)10-4)13-25-27(31)21-14-23(32-5)24(33-6)15-22(21)34-25/h11-15,30H,7-10,16-17H2,1-6H3/b25-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4.21E+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