BDBM50308269 2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-diethylaminobutoxy)indan-1-one::CHEMBL598645

SMILES: CCN(CC)CCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1

InChI Key: InChIKey=RZMDKGRCDDUXCM-MWAVMZGNSA-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 = 50308269   

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 (Homo sapiens (Human))	BDBM50308269 (2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...) Show SMILES CCN(CC)CCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1 Show InChI InChI=1S/C33H40N2O2/c1-4-35(5-2)19-9-10-20-37-31-18-17-29-22-30(33(36)32(29)23-31)21-26-13-15-28(16-14-26)25-34(3)24-27-11-7-6-8-12-27/h6-8,11-18,21,23H,4-5,9-10,19-20,22,24-25H2,1-3H3/b30-21+	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	890	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method				Bioorg Med Chem 18: 1749-60 (2010) Article DOI: 10.1016/j.bmc.2010.01.071 BindingDB Entry DOI: 10.7270/Q2P26Z7H
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50308269 (2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(4-...) Show SMILES CCN(CC)CCCCOc1ccc2C\C(=C/c3ccc(CN(C)Cc4ccccc4)cc3)C(=O)c2c1 Show InChI InChI=1S/C33H40N2O2/c1-4-35(5-2)19-9-10-20-37-31-18-17-29-22-30(33(36)32(29)23-31)21-26-13-15-28(16-14-26)25-34(3)24-27-11-7-6-8-12-27/h6-8,11-18,21,23H,4-5,9-10,19-20,22,24-25H2,1-3H3/b30-21+	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	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method				Bioorg Med Chem 18: 1749-60 (2010) Article DOI: 10.1016/j.bmc.2010.01.071 BindingDB Entry DOI: 10.7270/Q2P26Z7H
					More data for this Ligand-Target Pair