Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM120779'   

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))	BDBM120779 (US8710076, H-4) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)Nc1nccc2ccccc12 |r| Show InChI InChI=1S/C25H26N6O/c1-17-7-10-23(31-27-13-14-28-31)22(15-17)25(32)30-16-20(9-8-18(30)2)29-24-21-6-4-3-5-19(21)11-12-26-24/h3-7,10-15,18,20H,8-9,16H2,1-2H3,(H,26,29)/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8710076 (2014) BindingDB Entry DOI: 10.7270/Q2QN65DD
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