Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50301515'   

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))	BDBM50301515 (1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-morph...) Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(4.32,-25.83,;4.29,-27.37,;5.52,-28.3,;5.01,-29.76,;3.47,-29.72,;2.54,-30.95,;3.03,-28.25,;1.58,-27.73,;.25,-28.5,;-1.08,-27.73,;-2.42,-28.5,;-3.75,-27.73,;-3.75,-26.19,;-5.08,-28.51,;-6.42,-27.74,;-7.75,-28.51,;-9.09,-27.74,;-9.09,-26.2,;-10.42,-25.43,;-7.76,-25.42,;-6.42,-26.19,;-1.09,-26.2,;.24,-25.42,;1.58,-26.19,;2.91,-25.41,;2.91,-23.87,;4.24,-23.1,;5.57,-23.87,;5.57,-25.4,;6.9,-26.17,;8.24,-25.4,;8.23,-23.86,;6.9,-23.08,)| Show InChI InChI=1S/C23H25BrClN5O3/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-4-2-16(25)3-5-17)6-7-21(19)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells				Bioorg Med Chem Lett 19: 5486-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.073 BindingDB Entry DOI: 10.7270/Q20V8CWG
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