Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50328443'   

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 (PIG)	BDBM50328443 (1-(4-Fluorophenyl)-4-[4-([2.2]paracyclophan-4-yl)-...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc2CCc3ccc(CCc1cc2)cc3 Show InChI InChI=1S/C31H34FNO2/c32-28-15-13-27(14-16-28)30(34)2-1-19-33-20-17-31(35,18-21-33)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22,35H,1-2,7-9,11,17-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes				J Med Chem 53: 7219-28 (2010) Article DOI: 10.1021/jm100899z BindingDB Entry DOI: 10.7270/Q27W6CDZ
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