BDBM50393715 CHEMBL2158994

SMILES: CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1

InChI Key: InChIKey=AAJCCATVSUSRCY-MDWZMJQESA-N

Data: 2 KI  3 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 = 50393715   

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))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Non-competitive inhibition of AChE (unknown origin) incubated for 25 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Competitive inhibition of AChE (unknown origin) incubated for 25 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	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	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis				Bioorg Med Chem 20: 4514-21 (2012) Article DOI: 10.1016/j.bmc.2012.05.025 BindingDB Entry DOI: 10.7270/Q2K075D0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50393715 (CHEMBL2158994) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+	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	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
					More data for this Ligand-Target Pair