Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50497423'   

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))	BDBM50497423 (CHEMBL3343670) Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1 Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Binding affinity to serotonin 5-HT2A receptor (unknown origin)				Bioorg Med Chem 22: 6026-38 (2014) Article DOI: 10.1016/j.bmc.2014.09.005 BindingDB Entry DOI: 10.7270/Q2RN3BT1
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