Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50438807'   

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))	BDBM50438807 (CHEMBL2413517) Show SMILES CCOc1cccc(c1)C(=O)N(C)[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1 |r| Show InChI InChI=1S/C26H31N3O3/c1-4-32-23-13-8-12-21(19-23)26(31)29(3)22(18-20-10-6-5-7-11-20)15-16-27-25(30)24-14-9-17-28(24)2/h5-14,17,19,22H,4,15-16,18H2,1-3H3,(H,27,30)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	696	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
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