Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM123348'   

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))	BDBM123348 (US8742106, 1.61) Show SMILES Cn1nc(-c2cccc(F)c2)c2c(cc(OCC(=O)N[C@H]3CCc4ccccc34)nc12)C(F)(F)F |r| Show InChI InChI=1S/C25H20F4N4O2/c1-33-24-22(23(32-33)15-6-4-7-16(26)11-15)18(25(27,28)29)12-21(31-24)35-13-20(34)30-19-10-9-14-5-2-3-8-17(14)19/h2-8,11-12,19H,9-10,13H2,1H3,(H,30,34)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	204	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
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