Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50099495'   

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))	BDBM50099495 (1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES COc1ccc(\C=C2\C(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c3ccccc23)cc1 Show InChI InChI=1S/C29H30ClN3O2/c1-35-25-12-10-22(11-13-25)20-27-26-8-2-3-9-28(26)33(29(27)34)15-5-14-31-16-18-32(19-17-31)24-7-4-6-23(30)21-24/h2-4,6-13,20-21H,5,14-19H2,1H3/b27-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 11: 1229-31 (2001) BindingDB Entry DOI: 10.7270/Q2TB165M
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