Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50343264'   

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))	BDBM50343264 (7-(4-(4-(2-chlorophenyl)piperazin-1-yl)butoxy)-3,4...) Show SMILES Clc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1 Show InChI InChI=1S/C22H27ClN4O2/c23-18-5-1-2-6-19(18)27-14-12-26(13-15-27)11-3-4-16-29-21-10-8-17-7-9-20(28)24-22(17)25-21/h1-2,5-6,8,10H,3-4,7,9,11-16H2,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 21: 2621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.059 BindingDB Entry DOI: 10.7270/Q29K4BJ3
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