Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50171894'   

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))	BDBM50171894 (4-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...) Show SMILES Clc1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22| Show InChI InChI=1S/C21H24ClN3O3/c22-16-2-1-3-17(13-16)24-8-6-23(7-9-24)10-11-28-25-20(26)18-14-4-5-15(12-14)19(18)21(25)27/h1-5,13-15,18-19H,6-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex				J Med Chem 48: 5495-503 (2005) Article DOI: 10.1021/jm050246k BindingDB Entry DOI: 10.7270/Q2TM79N5
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