Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50206247'   

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))	BDBM50206247 (CHEMBL3910223) Show SMILES Brc1ccn2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12 |r,wU:13.22,t:10,TLB:21:13:16.17:20.19,THB:12:13:16.17:20.19,(38.66,-1.75,;39.95,-2.58,;41.38,-2.03,;42.35,-3.23,;41.51,-4.52,;41.91,-6.02,;40.82,-7.1,;39.34,-6.7,;38.95,-5.22,;37.46,-4.82,;36.37,-5.91,;36.61,-7.43,;35.24,-8.13,;34.15,-7.04,;33.41,-8.31,;32.13,-7.73,;32.13,-5.81,;32.97,-4.73,;32.97,-6.35,;31.41,-7.03,;30.62,-8.21,;34.85,-5.66,;40.02,-4.12,)| Show InChI InChI=1S/C15H17BrN6O/c16-11-3-6-22-12(11)13(18-9-19-22)20-14-17-7-15(23-14)8-21-4-1-10(15)2-5-21/h3,6,9-10H,1-2,4-5,7-8H2,(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	5.60E+3	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
					More data for this Ligand-Target Pair