Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.4 BDBM50420610

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50420610 (CHEMBL2087457) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O3/c1-26-17-8-6-16(7-9-17)18-15-19(23-22-18)21-20(25)5-2-3-10-24-11-4-13-27-14-12-24/h6-9,15H,2-5,10-14H2,1H3,(H2,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...				J Med Chem 55: 4806-23 (2012) Article DOI: 10.1021/jm300247y BindingDB Entry DOI: 10.7270/Q2VM4DJ7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50420610 (CHEMBL2087457) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O3/c1-26-17-8-6-16(7-9-17)18-15-19(23-22-18)21-20(25)5-2-3-10-24-11-4-13-27-14-12-24/h6-9,15H,2-5,10-14H2,1H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur...				J Med Chem 55: 4806-23 (2012) Article DOI: 10.1021/jm300247y BindingDB Entry DOI: 10.7270/Q2VM4DJ7
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50420610 (CHEMBL2087457) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1 Show InChI InChI=1S/C20H28N4O3/c1-26-17-8-6-16(7-9-17)18-15-19(23-22-18)21-20(25)5-2-3-10-24-11-4-13-27-14-12-24/h6-9,15H,2-5,10-14H2,1H3,(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as calcium influx measured every 1 sec for 1 min followed by every 30 secs for...				J Med Chem 55: 4806-23 (2012) Article DOI: 10.1021/jm300247y BindingDB Entry DOI: 10.7270/Q2VM4DJ7
					More data for this Ligand-Target Pair