Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50090528'   

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))	BDBM50090528 (4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...) Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1 Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Curated by ChEMBL					Assay Description Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2A receptor expressed in 3T3 cells using [3H]5-HT as radioligand				J Med Chem 46: 1273-6 (2003) Checked by Author Article DOI: 10.1021/jm021085c BindingDB Entry DOI: 10.7270/Q20G3MCZ
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