Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50121219'   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50121219 (CHEMBL3622422) Show SMILES COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N(C)C)c1 Show InChI InChI=1S/C32H34N4O6S/c1-36(2)32(38)24-10-7-9-22(19-24)23-15-16-29(42-4)30(20-23)43(39,40)35-26-12-8-11-25(21-26)33-17-18-34-31(37)27-13-5-6-14-28(27)41-3/h5-16,19-21,33,35H,17-18H2,1-4H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay				J Med Chem 58: 7931-7 (2015) Article DOI: 10.1021/acs.jmedchem.5b00988 BindingDB Entry DOI: 10.7270/Q2GH9KSW
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