Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50301509'   

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))	BDBM50301509 (1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...) Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(5.77,3.8,;5.74,2.26,;6.97,1.33,;6.46,-.13,;4.92,-.09,;3.98,-1.31,;4.48,1.39,;3.03,1.9,;1.7,1.13,;.36,1.9,;-.97,1.13,;-2.3,1.9,;-2.31,3.44,;-3.64,1.13,;-4.97,1.89,;-6.31,1.12,;-7.64,1.89,;-7.64,3.44,;-8.97,4.21,;-6.31,4.21,;-4.98,3.44,;.36,3.44,;1.68,4.21,;3.03,3.44,;4.36,4.22,;4.35,5.76,;5.68,6.53,;7.02,5.77,;7.5,4.31,;9.04,4.32,;9.51,5.78,;8.26,6.68,)| Show InChI InChI=1S/C23H25BrClN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50301509 (1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...) Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(5.77,3.8,;5.74,2.26,;6.97,1.33,;6.46,-.13,;4.92,-.09,;3.98,-1.31,;4.48,1.39,;3.03,1.9,;1.7,1.13,;.36,1.9,;-.97,1.13,;-2.3,1.9,;-2.31,3.44,;-3.64,1.13,;-4.97,1.89,;-6.31,1.12,;-7.64,1.89,;-7.64,3.44,;-8.97,4.21,;-6.31,4.21,;-4.98,3.44,;.36,3.44,;1.68,4.21,;3.03,3.44,;4.36,4.22,;4.35,5.76,;5.68,6.53,;7.02,5.77,;7.5,4.31,;9.04,4.32,;9.51,5.78,;8.26,6.68,)| Show InChI InChI=1S/C23H25BrClN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonist activity at 5HT2A receptor expressed in HEK cells assessed as inhibition of serotonin-induced inositol phosphate accumulation				Bioorg Med Chem Lett 19: 5486-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.073 BindingDB Entry DOI: 10.7270/Q20V8CWG
					More data for this Ligand-Target Pair