Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50133881'   

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))	BDBM50133881 (CHEMBL3634009) Show SMILES COc1ccccc1C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-11-7-8-12-19(17)34-3)29-20(33)14-35-21-13-18(25(26,27)28)22-23(16-9-5-4-6-10-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
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