Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM158199'   

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))	BDBM158199 (US9029364, 8) Show SMILES C[C@@H]1CS[C@@H](COc2ncccc2Cl)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C20H20ClN5O2S/c1-14-13-29-15(12-28-19-17(21)6-4-8-22-19)11-25(14)20(27)16-5-2-3-7-18(16)26-23-9-10-24-26/h2-10,14-15H,11-13H2,1H3/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	75.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...				US Patent US9029364 (2015) BindingDB Entry DOI: 10.7270/Q2SF2TX1
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