Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50213571'   

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))	BDBM50213571 (7-{4-[4-(3-chlorophenyl)-piperazin-1-yl]-butyl}-8-...) Show SMILES CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H31ClN6O3/c1-4-33-22-25-20-19(21(31)27(3)23(32)26(20)2)30(22)11-6-5-10-28-12-14-29(15-13-28)18-9-7-8-17(24)16-18/h7-9,16H,4-6,10-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat brain 5HT2A receptor				Bioorg Med Chem 15: 5239-50 (2007) Article DOI: 10.1016/j.bmc.2007.05.017 BindingDB Entry DOI: 10.7270/Q22F7P87
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