Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50146084'   

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 (Homo sapiens (Human))	BDBM50146084 (1,3-Dimethyl-8-[3-(4-phenyl-piperazin-1-yl)-propyl...) Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H27N7O3/c1-25-20-19(21(32)26(2)23(25)33)30-12-9-18(31)29(22(30)24-20)11-6-10-27-13-15-28(16-14-27)17-7-4-3-5-8-17/h3-5,7-9,12H,6,10-11,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT2A (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-011-9555-y BindingDB Entry DOI: 10.7270/Q2ZS30F6
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5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50146084 (1,3-Dimethyl-8-[3-(4-phenyl-piperazin-1-yl)-propyl...) Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C23H27N7O3/c1-25-20-19(21(32)26(2)23(25)33)30-12-9-18(31)29(22(30)24-20)11-6-10-27-13-15-28(16-14-27)17-7-4-3-5-8-17/h3-5,7-9,12H,6,10-11,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Collegium Medicum of the Jagiellonian University Curated by ChEMBL					Assay Description Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand				J Med Chem 47: 2659-66 (2004) Article DOI: 10.1021/jm030946u BindingDB Entry DOI: 10.7270/Q2XG9QKJ
					More data for this Ligand-Target Pair