BDBM50248714 (E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-dimethoxy-2,3-dihydroinden-1-one::CHEMBL518399

SMILES: CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1

InChI Key: InChIKey=LIGFNIKQVUXBFX-YBFXNURJSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50248714   

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))	BDBM50248714 ((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50248714 ((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex after 15 mins by modified Ellman method				Eur J Med Chem 44: 7-17 (2008) Article DOI: 10.1016/j.ejmech.2008.03.003 BindingDB Entry DOI: 10.7270/Q29W0F8B
					More data for this Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat))	BDBM50248714 ((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50248714 ((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of BChE in rat serum after 15 mins by modified Ellman method				Eur J Med Chem 44: 7-17 (2008) Article DOI: 10.1016/j.ejmech.2008.03.003 BindingDB Entry DOI: 10.7270/Q29W0F8B
					More data for this Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat))	BDBM50248714 ((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair