Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50306851'   

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))	BDBM50306851 (CHEMBL602060 | N-(Cyclopropylmethyl)-N-(3-(4-pheny...) Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H33N3O2S/c31-33(32,27-14-13-24-7-4-5-8-25(24)21-27)30(22-23-11-12-23)16-6-15-28-17-19-29(20-18-28)26-9-2-1-3-10-26/h1-5,7-10,13-14,21,23H,6,11-12,15-20,22H2	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	35.9	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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