Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50306831'   

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))	BDBM50306831 (CHEMBL600822 | N-(Cyclohexylmethyl)-4-methoxy-N-(3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1OC)CC1CCCCC1 Show InChI InChI=1S/C28H41N3O4S/c1-34-25-13-15-26(16-14-25)36(32,33)31(23-24-9-4-3-5-10-24)18-8-17-29-19-21-30(22-20-29)27-11-6-7-12-28(27)35-2/h6-7,11-16,24H,3-5,8-10,17-23H2,1-2H3	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	16.3	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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