Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50306834'   

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))	BDBM50306834 (CHEMBL600012 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...) Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H39N3O2S/c34-36(35,30-17-16-27-12-7-8-13-28(27)24-30)33(25-26-10-3-1-4-11-26)19-9-18-31-20-22-32(23-21-31)29-14-5-2-6-15-29/h2,5-8,12-17,24,26H,1,3-4,9-11,18-23,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells				Bioorg Med Chem 18: 1665-75 (2010) Article DOI: 10.1016/j.bmc.2009.12.067 BindingDB Entry DOI: 10.7270/Q2R78F99
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