Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50133874'   

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))	BDBM50133874 (CHEMBL3634021) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
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