Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50290512'   

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 2A (Rattus norvegicus (rat))	BDBM50290512 (3-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...) Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)sc3c2)-[#6]-[#6]-1 Show InChI InChI=1S/C42H46F2N4O2S/c1-50-39-8-3-2-7-37(39)47-27-24-45(25-28-47)21-5-4-6-31-9-18-38-40(30-31)51-42(49)48(38)29-26-46-22-19-34(20-23-46)41(32-10-14-35(43)15-11-32)33-12-16-36(44)17-13-33/h2-3,7-18,30H,4-6,19-29H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin				Bioorg Med Chem Lett 7: 2579-2584 (1997) Article DOI: 10.1016/S0960-894X(97)10023-3 BindingDB Entry DOI: 10.7270/Q2QN66SR
					More data for this Ligand-Target Pair