Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.3 BDBM50420607

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))	BDBM50420607 (CHEMBL2087448) Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1 Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	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))	BDBM50420607 (CHEMBL2087448) Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1 Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(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))	BDBM50420607 (CHEMBL2087448) Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1 Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(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	1.15E+3	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