Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50178963'   

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 (Homo sapiens (Human))	BDBM50178963 (CHEMBL3735756) Show SMILES COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3OCOc3c2)cc1OC Show InChI InChI=1S/C28H33NO4/c1-30-25-12-10-23(19-27(25)31-2)14-17-29(16-6-9-22-7-4-3-5-8-22)18-15-24-11-13-26-28(20-24)33-21-32-26/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University Of New York Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 3216-3219 (2016) Article DOI: 10.1016/j.bmcl.2016.05.079 BindingDB Entry DOI: 10.7270/Q29S1SXB
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