Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50206249'   

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))	BDBM50206249 (CHEMBL3900048) Show SMILES Clc1ccc2c(NC3=NC4(CO3)CN3CCC4CC3)ncnn12 |t:7,TLB:8:9:14.15:18.17,THB:10:9:14.15:18.17,(44.76,-13.12,;43.23,-13.2,;42.26,-12,;40.82,-12.55,;40.9,-14.09,;39.82,-15.18,;38.33,-14.79,;37.24,-15.88,;35.72,-15.63,;35.02,-17,;36.11,-18.09,;37.48,-17.4,;34.29,-18.28,;33.01,-17.7,;33.01,-15.78,;33.85,-14.7,;33.85,-16.32,;32.28,-17,;31.49,-18.18,;40.21,-16.67,;41.69,-17.07,;42.79,-15.98,;42.39,-14.49,)| Show InChI InChI=1S/C15H17ClN6O/c16-12-2-1-11-13(17-9-18-22(11)12)19-14-20-15(8-23-14)7-21-5-3-10(15)4-6-21/h1-2,9-10H,3-8H2,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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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