Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50404047'   

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))	BDBM50404047 (CHEMBL52384) Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ncccn3)ccc12 Show InChI InChI=1S/C21H24N4O4/c1-27-18-15-20(26)29-19-14-16(4-5-17(18)19)28-13-3-8-24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14-15H,3,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
					More data for this Ligand-Target Pair