Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM347775'   

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))	BDBM347775 (US9790220, Example 8) Show SMILES CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H23FN4O2S/c1-12(2)28-17-7-4-10-23-19(17)20(27)24-14-5-3-6-15(14)25-21-26-16-9-8-13(22)11-18(16)29-21/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,24,27)(H,25,26)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9790220 (2017) BindingDB Entry DOI: 10.7270/Q2FF3VHB
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