Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50099498'   

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))	BDBM50099498 (1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-...) Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C/c3cccnc3)c3ccccc23)CC1 Show InChI InChI=1S/C27H27ClN4O/c28-22-7-3-8-23(19-22)31-16-14-30(15-17-31)12-5-13-32-26-10-2-1-9-24(26)25(27(32)33)18-21-6-4-11-29-20-21/h1-4,6-11,18-20H,5,12-17H2/b25-18-	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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