Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50185780'   

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))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
					More data for this Ligand-Target Pair