Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50169839'   

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 (Rattus norvegicus (rat))	BDBM50169839 (4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...) Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 15: 3665-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50169839 (4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-pipe...) Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)C#N)c(F)c1 Show InChI InChI=1S/C20H19F3N2O2S/c21-17-4-3-16(19(22)13-17)7-10-25-11-8-20(23,9-12-25)28(26,27)18-5-1-15(14-24)2-6-18/h1-6,13H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 15: 3665-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P
					More data for this Ligand-Target Pair