BDBM50234821 CHEMBL4072914

SMILES: CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C

InChI Key: InChIKey=CIXOQJMFWVATNE-MUXKCCDJSA-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 = 50234821   

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))	BDBM50234821 (CHEMBL4072914) Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-20-9-7-8-10-23(20)30(2)3)18-21-12-11-19(13-24(21)32)14-28-29(33)22-15-26(34-4)27(35-5)16-25(22)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.32E+3	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))	BDBM50234821 (CHEMBL4072914) Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-20-9-7-8-10-23(20)30(2)3)18-21-12-11-19(13-24(21)32)14-28-29(33)22-15-26(34-4)27(35-5)16-25(22)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.40E+3	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))	BDBM50234821 (CHEMBL4072914) Show SMILES CCN(Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C Show InChI InChI=1S/C29H32N2O5/c1-6-31(17-20-9-7-8-10-23(20)30(2)3)18-21-12-11-19(13-24(21)32)14-28-29(33)22-15-26(34-4)27(35-5)16-25(22)36-28/h7-16,32H,6,17-18H2,1-5H3/b28-14-	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	6.69E+3	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