Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM402146'   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM402146 (US10011588, Example 105 | [(1S,2S)-2-{[3-Fluoro-5-...) Show SMILES NC(=O)c1cccc([C@@H]2CCC[C@@H]2Nc2ncc(cc2F)C(F)(F)F)c1-n1nccn1 Show InChI InChI=1S/C20H18F4N6O/c21-15-9-11(20(22,23)24)10-26-19(15)29-16-6-2-3-12(16)13-4-1-5-14(18(25)31)17(13)30-27-7-8-28-30/h1,4-5,7-10,12,16H,2-3,6H2,(H2,25,31)(H,26,29)/t12-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
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