Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50232594'   

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))	BDBM50232594 (CHEMBL4102566) Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wD:17.19,t:1,TLB:0:17:20.21:24.23,THB:16:17:20.21:24.23,(15.47,-25.27,;15.91,-23.79,;14.64,-22.92,;14.61,-21.38,;15.93,-20.58,;15.89,-19.04,;17.21,-18.24,;18.57,-18.98,;18.6,-20.53,;17.28,-21.33,;17.16,-16.7,;18.48,-15.9,;18.45,-14.36,;17.09,-13.62,;15.77,-14.43,;15.82,-15.97,;13.42,-23.85,;13.93,-25.31,;14.79,-26.41,;13.02,-27.37,;12.76,-28.49,;11.95,-27.32,;12.44,-25.93,;11.22,-24.85,;11.51,-26.06,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A receptor expressed in HEK293 cells				ACS Med Chem Lett 8: 366-371 (2017) Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232594 (CHEMBL4102566) Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wD:17.19,t:1,TLB:0:17:20.21:24.23,THB:16:17:20.21:24.23,(15.47,-25.27,;15.91,-23.79,;14.64,-22.92,;14.61,-21.38,;15.93,-20.58,;15.89,-19.04,;17.21,-18.24,;18.57,-18.98,;18.6,-20.53,;17.28,-21.33,;17.16,-16.7,;18.48,-15.9,;18.45,-14.36,;17.09,-13.62,;15.77,-14.43,;15.82,-15.97,;13.42,-23.85,;13.93,-25.31,;14.79,-26.41,;13.02,-27.37,;12.76,-28.49,;11.95,-27.32,;12.44,-25.93,;11.22,-24.85,;11.51,-26.06,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair