Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM347773'   

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))	BDBM347773 (US9790220, Example 6) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3nccn3)sc2c1 |r| Show InChI InChI=1S/C20H18FN7OS/c21-12-6-7-15-17(11-12)30-20(27-15)26-14-4-1-3-13(14)25-19(29)18-16(5-2-8-22-18)28-23-9-10-24-28/h2,5-11,13-14H,1,3-4H2,(H,25,29)(H,26,27)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	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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