Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50417233'   

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))	BDBM50417233 (CHEMBL1272043) Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1 Show InChI InChI=1S/C22H20N4O4S/c1-14(27)16-5-7-17(8-6-16)23-20(28)13-31-22-25-24-21(19-9-11-29-15(19)2)26(22)12-18-4-3-10-30-18/h3-11H,12-13H2,1-2H3,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 6405-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.090 BindingDB Entry DOI: 10.7270/Q2W37WKR
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