BDBM50273222 2-(4-(3-(Ethyl(methyl)amino)propanoyl)phenoxy)-5,6-dimethoxy-indan-1-one::CHEMBL456968

SMILES: CCN(C)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1

InChI Key: InChIKey=ZQTCXVJEBYTDAF-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 = 50273222   

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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50273222 (2-(4-(3-(Ethyl(methyl)amino)propanoyl)phenoxy)-5,6...) Show SMILES CCN(C)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI InChI=1S/C23H27NO5/c1-5-24(2)11-10-19(25)15-6-8-17(9-7-15)29-22-13-16-12-20(27-3)21(28-4)14-18(16)23(22)26/h6-9,12,14,22H,5,10-11,13H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of BuchE in rat serum by Ellman's method				Bioorg Med Chem 16: 7646-53 (2008) Article DOI: 10.1016/j.bmc.2008.07.014 BindingDB Entry DOI: 10.7270/Q2RR1Z2W
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50273222 (2-(4-(3-(Ethyl(methyl)amino)propanoyl)phenoxy)-5,6...) Show SMILES CCN(C)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI InChI=1S/C23H27NO5/c1-5-24(2)11-10-19(25)15-6-8-17(9-7-15)29-22-13-16-12-20(27-3)21(28-4)14-18(16)23(22)26/h6-9,12,14,22H,5,10-11,13H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85	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 by Ellman's method				Bioorg Med Chem 16: 7646-53 (2008) Article DOI: 10.1016/j.bmc.2008.07.014 BindingDB Entry DOI: 10.7270/Q2RR1Z2W
					More data for this Ligand-Target Pair