Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50206248'   

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))	BDBM50206248 (CHEMBL3897030) Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12 |r,wU:10.19,t:7,TLB:18:10:13.14:17.16,THB:9:10:13.14:17.16,(40.57,-37.22,;39.04,-37.3,;38.07,-36.1,;36.63,-36.65,;36.71,-38.19,;35.64,-39.28,;34.15,-38.88,;33.06,-39.97,;33.3,-41.49,;31.93,-42.19,;30.84,-41.1,;30.1,-42.37,;28.82,-41.79,;28.82,-39.87,;29.66,-38.79,;29.66,-40.42,;28.1,-41.09,;27.31,-42.28,;31.54,-39.73,;36.03,-40.76,;37.51,-41.16,;38.6,-40.08,;38.2,-38.59,)| Show InChI InChI=1S/C15H17BrN6O/c16-12-2-1-11-13(18-9-19-22(11)12)20-14-17-7-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)/t15-/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	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...				ACS Med Chem Lett 8: 133-137 (2017) Article DOI: 10.1021/acsmedchemlett.6b00471 BindingDB Entry DOI: 10.7270/Q2765HBF
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