Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50330441'   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT3 receptor				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.93	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human recombinant 5HT3 receptor				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair