BDBM50024897 CHEMBL3335032

SMILES: COc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1

InChI Key: InChIKey=ITYHQJQWDFKQFQ-UHFFFAOYSA-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 = 50024897   

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
Cholinesterase (Homo sapiens (Human))	BDBM50024897 (CHEMBL3335032) Show SMILES COc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1 Show InChI InChI=1S/C25H29NO4/c1-26(17-18-7-5-8-19(15-18)28-2)13-6-14-29-20-11-12-22-21-9-3-4-10-23(21)25(27)30-24(22)16-20/h5,7-8,11-12,15-16H,3-4,6,9-10,13-14,17H2,1-2H3	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Mediterranean University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 5141-54 (2014) Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50024897 (CHEMBL3335032) Show SMILES COc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1 Show InChI InChI=1S/C25H29NO4/c1-26(17-18-7-5-8-19(15-18)28-2)13-6-14-29-20-11-12-22-21-9-3-4-10-23(21)25(27)30-24(22)16-20/h5,7-8,11-12,15-16H,3-4,6,9-10,13-14,17H2,1-2H3	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Mediterranean University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 5141-54 (2014) Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB
					More data for this Ligand-Target Pair