Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50095042'   

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))	BDBM50095042 (3-[2-((R)-2-Methyl-piperidin-1-yl)-ethyl]-2-phenyl...) Show SMILES C[C@@H]1CCCCN1CCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.				Bioorg Med Chem Lett 10: 2697-9 (2000) BindingDB Entry DOI: 10.7270/Q27943XR
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