Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50231452'   

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))	BDBM50231452 (CHEMBL253439 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...) Show SMILES Clc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10| Show InChI InChI=1S/C29H29ClN4OS/c30-23-10-7-22(8-11-23)29(35)31-26-12-9-21-6-5-20(19-25(21)26)13-14-33-15-17-34(18-16-33)28-24-3-1-2-4-27(24)36-32-28/h1-8,10-11,19,26H,9,12-18H2,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells				Bioorg Med Chem Lett 18: 489-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.106 BindingDB Entry DOI: 10.7270/Q2611023
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