Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50171887'   

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))	BDBM50171887 (4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...) Show SMILES Clc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23| Show InChI InChI=1S/C22H26ClN3O3/c23-17-4-1-2-5-18(17)25-11-9-24(10-12-25)8-3-13-29-26-21(27)19-15-6-7-16(14-15)20(19)22(26)28/h1-2,4-7,15-16,19-20H,3,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+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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