Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50173091'   

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))	BDBM50173091 (4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C23H30ClN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human 5-HT2A receptor using [3H]5-carboximidotryptamine as radioligand				Bioorg Med Chem Lett 15: 4786-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.024 BindingDB Entry DOI: 10.7270/Q2NP23ZZ
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