Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50306852'   

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))	BDBM50306852 (CHEMBL603272 | N-(Cyclopropylmethyl)-N-(3-(4-(2-me...) Show SMILES COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C28H35N3O3S/c1-34-28-10-5-4-9-27(28)30-19-17-29(18-20-30)15-6-16-31(22-23-11-12-23)35(32,33)26-14-13-24-7-2-3-8-25(24)21-26/h2-5,7-10,13-14,21,23H,6,11-12,15-20,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85.8	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells				Bioorg Med Chem 18: 1665-75 (2010) Article DOI: 10.1016/j.bmc.2009.12.067 BindingDB Entry DOI: 10.7270/Q2R78F99
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