Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50031939'   

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/3B (Rattus norvegicus-RAT)	BDBM50031939 (6-(4-Methyl-piperazin-1-yl)-7,8-dihydro-9-oxa-5-az...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c-2c1CCOc1ccccc-21 Show InChI InChI=1S/C22H23N3O/c1-24-11-13-25(14-12-24)22-18-10-15-26-20-9-5-3-7-17(20)21(18)16-6-2-4-8-19(16)23-22/h2-9H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist				J Med Chem 41: 2029-39 (1998) Article DOI: 10.1021/jm970745o BindingDB Entry DOI: 10.7270/Q2CJ8H7X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50031939 (6-(4-Methyl-piperazin-1-yl)-7,8-dihydro-9-oxa-5-az...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c-2c1CCOc1ccccc-21 Show InChI InChI=1S/C22H23N3O/c1-24-11-13-25(14-12-24)22-18-10-15-26-20-9-5-3-7-17(20)21(18)16-6-2-4-8-19(16)23-22/h2-9H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 3 receptor from rat cortex using [3H]BRL-43694 as radioligand				J Med Chem 38: 2692-704 (1995) BindingDB Entry DOI: 10.7270/Q27H1K7H
					More data for this Ligand-Target Pair