Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50081993'   

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)	BDBM50081993 (7-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cc(C)ccc2n2cccc12 Show InChI InChI=1S/C17H20N4/c1-13-5-6-15-14(12-13)18-17(16-4-3-7-21(15)16)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand				J Med Chem 42: 4362-79 (1999) BindingDB Entry DOI: 10.7270/Q2S75FJM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Homo sapiens (Human))	BDBM50081993 (7-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) Show SMILES CN1CCN(CC1)c1nc2cc(C)ccc2n2cccc12 Show InChI InChI=1S/C17H20N4/c1-13-5-6-15-14(12-13)18-17(16-4-3-7-21(15)16)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C]-guanidinium uptake on NG108-15 cells.				J Med Chem 42: 4362-79 (1999) BindingDB Entry DOI: 10.7270/Q2S75FJM
					More data for this Ligand-Target Pair