Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM123401'   

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))	BDBM123401 (US8742106, 6.77) Show SMILES C[C@H](NC(=O)COc1cc(c2c(cn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H22F3N3O2/c1-16(17-9-5-3-6-10-17)29-21(32)15-33-22-13-20(25(26,27)28)23-19(14-31(2)24(23)30-22)18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,29,32)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	501	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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