Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50428539'   

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))	BDBM50428539 (CHEMBL2337492) Show SMILES CN1[C@H]2CNC[C@@H]2c2cccc(c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C13H13F3N2O/c1-18-10-6-17-5-8(10)7-3-2-4-9(13(14,15)16)11(7)12(18)19/h2-4,8,10,17H,5-6H2,1H3/t8-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5-HT2A receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50428539 (CHEMBL2337492) Show SMILES CN1[C@H]2CNC[C@@H]2c2cccc(c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C13H13F3N2O/c1-18-10-6-17-5-8(10)7-3-2-4-9(13(14,15)16)11(7)12(18)19/h2-4,8,10,17H,5-6H2,1H3/t8-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair