Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50319424'   

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))	BDBM50319424 (CHEMBL1084618 | N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-...) Show SMILES Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1 Show InChI InChI=1S/C24H24F3N5O3/c1-31-20(7-8-29-31)19-14-18(30-23(34)16-3-2-4-17(13-16)24(25,26)27)5-6-21(19)35-12-11-32-10-9-28-22(33)15-32/h2-8,13-14H,9-12,15H2,1H3,(H,28,33)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 4412-21 (2010) Article DOI: 10.1021/jm100044a BindingDB Entry DOI: 10.7270/Q2KK9BZV
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