Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50444615'   

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 receptor type 2 (Homo sapiens (Human))	BDBM50444615 (CHEMBL3099889) Show SMILES CN(C)c1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C28H28N4O/c1-19-12-20(2)14-23(13-19)24-15-26(27(30-18-24)22-6-5-11-29-17-22)28(33)31-16-21-7-9-25(10-8-21)32(3)4/h5-15,17-18H,16H2,1-4H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
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