Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM106972'   

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))	BDBM106972 (US8592457, 7-7) Show SMILES COc1nc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)ccc1C1CC1 Show InChI InChI=1S/C25H23N5O2S/c1-15-9-17(12-26-11-15)22-10-20(21(14-28-22)25-27-7-8-33-25)23(31)29-13-18-5-6-19(16-3-4-16)24(30-18)32-2/h5-12,14,16H,3-4,13H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.970	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).				US Patent US8592457 (2013) BindingDB Entry DOI: 10.7270/Q2251GTW
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