Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50038686'   

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))	BDBM50038686 (CHEMBL57826 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...) Show SMILES COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br Show InChI InChI=1S/C18H22BrNO2/c1-13-4-6-14(7-5-13)12-20-9-8-15-10-18(22-3)16(19)11-17(15)21-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50038686 (CHEMBL57826 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...) Show SMILES COc1cc(CCNCc2ccc(C)cc2)c(OC)cc1Br Show InChI InChI=1S/C18H22BrNO2/c1-13-4-6-14(7-5-13)12-20-9-8-15-10-18(22-3)16(19)11-17(15)21-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair