Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50438824'   

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))	BDBM50438824 (CHEMBL2413365) Show SMILES C[C@H]1[C@H](COc2nccc3ccccc23)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C26H27N5O2/c1-18-9-10-24(31-28-13-14-29-31)23(16-18)26(32)30-15-5-7-21(19(30)2)17-33-25-22-8-4-3-6-20(22)11-12-27-25/h3-4,6,8-14,16,19,21H,5,7,15,17H2,1-2H3/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	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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