Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50319425'   

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))	BDBM50319425 (CHEMBL1084865 | N-{3-(4-Chloro-2-methyl-2H-pyrazol...) Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1 |(-5.14,-22.2,;-4.83,-23.71,;-5.86,-24.85,;-5.09,-26.19,;-3.58,-25.86,;-2.43,-26.89,;-3.42,-24.34,;-2.09,-23.57,;-.75,-24.34,;.58,-23.57,;1.92,-24.34,;3.25,-23.57,;3.25,-22.03,;4.58,-24.33,;4.58,-25.87,;5.91,-26.64,;7.25,-25.87,;7.24,-24.32,;5.9,-23.56,;8.57,-23.54,;9.91,-24.3,;8.56,-22,;9.89,-22.76,;.58,-22.02,;-.76,-21.26,;-2.09,-22.03,;-3.42,-21.26,;-3.42,-19.72,;-4.76,-18.95,;-4.76,-17.41,;-3.42,-16.64,;-3.42,-15.1,;-4.75,-14.33,;-6.09,-15.09,;-7.42,-14.32,;-6.09,-16.64,)| Show InChI InChI=1S/C24H23ClF3N5O3/c1-32-22(19(25)13-30-32)18-12-17(31-23(35)15-3-2-4-16(11-15)24(26,27)28)5-6-20(18)36-10-9-33-8-7-29-21(34)14-33/h2-6,11-13H,7-10,14H2,1H3,(H,29,34)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	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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