Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50038680'   

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))	BDBM50038680 ((4-Methoxy-benzyl)-[2-(5-methoxy-1H-indol-3-yl)-et...) Show SMILES COc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1 Show InChI InChI=1S/C19H22N2O2/c1-22-16-5-3-14(4-6-16)12-20-10-9-15-13-21-19-8-7-17(23-2)11-18(15)19/h3-8,11,13,20-21H,9-10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	16	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))	BDBM50038680 ((4-Methoxy-benzyl)-[2-(5-methoxy-1H-indol-3-yl)-et...) Show SMILES COc1ccc(CNCCc2c[nH]c3ccc(OC)cc23)cc1 Show InChI InChI=1S/C19H22N2O2/c1-22-16-5-3-14(4-6-16)12-20-10-9-15-13-21-19-8-7-17(23-2)11-18(15)19/h3-8,11,13,20-21H,9-10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	100	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