Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50074096'   

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))	BDBM50074096 (CHEMBL3409866) Show SMILES CN[C@@H]1C[C@H](N(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C21H23F3N2O4/c1-25-15-11-16(19-17(28-2)5-4-6-18(19)29-3)26(20(15)27)12-13-7-9-14(10-8-13)30-21(22,23)24/h4-10,15-16,25H,11-12H2,1-3H3/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
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