BDBM50424043 CHEMBL2314728

SMILES: O=c1oc2ccccc2cc1OC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=DVFZOOLUKVYDFJ-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 = 50424043   

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 (Bos taurus (bovine))	BDBM50424043 (CHEMBL2314728) Show SMILES O=c1oc2ccccc2cc1OC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H21NO3/c23-21-20(14-17-8-4-5-9-19(17)25-21)24-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...				Bioorg Med Chem 21: 146-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50424043 (CHEMBL2314728) Show SMILES O=c1oc2ccccc2cc1OC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H21NO3/c23-21-20(14-17-8-4-5-9-19(17)25-21)24-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi...				Bioorg Med Chem 21: 146-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH
					More data for this Ligand-Target Pair