Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50306828'   

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))	BDBM50306828 (CHEMBL601659 | N-(Cyclohexylmethyl)-N-[3-(4-phenyl...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1 Show InChI InChI=1S/C26H36FN3O2S/c27-24-12-14-26(15-13-24)33(31,32)30(22-23-8-3-1-4-9-23)17-7-16-28-18-20-29(21-19-28)25-10-5-2-6-11-25/h2,5-6,10-15,23H,1,3-4,7-9,16-22H2	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	13.2	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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