Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50301499'   

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))	BDBM50301499 (1-(2-fluoro-5-methylphenyl)-3-(3-(1-methyl-1H-pyra...) Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)c1 Show InChI InChI=1S/C25H30FN5O2/c1-18-6-8-21(26)22(16-18)29-25(32)28-19-7-9-24(20(17-19)23-10-11-27-30(23)2)33-15-14-31-12-4-3-5-13-31/h6-11,16-17H,3-5,12-15H2,1-2H3,(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells				Bioorg Med Chem Lett 19: 5486-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.073 BindingDB Entry DOI: 10.7270/Q20V8CWG
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