Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50412719'   

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 2C (Homo sapiens (Human))	BDBM50412719 (CHEMBL459930) Show SMILES CCOC(=O)c1oc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c2c1C Show InChI InChI=1S/C25H27FN2O5/c1-3-31-25(30)24-14(2)22-19(29)10-15(11-21(22)32-24)13-28-8-6-16(7-9-28)23-18-5-4-17(26)12-20(18)33-27-23/h4-5,12,15-16H,3,6-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor				J Med Chem 51: 6085-94 (2008) Article DOI: 10.1021/jm800602w BindingDB Entry DOI: 10.7270/Q2571D72
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