Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM123334'   

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))	BDBM123334 (US8742106, 1.22) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1cccc(F)c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20F4N4O2/c1-14(15-7-4-3-5-8-15)29-19(33)13-34-20-12-18(24(26,27)28)21-22(31-32(2)23(21)30-20)16-9-6-10-17(25)11-16/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/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	88	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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