Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM257862'   

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))	BDBM257862 (US9493446, 331) Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1 Show InChI InChI=1S/C24H25N7O3/c1-4-33-22-17(7-5-9-25-22)23-28-21(29-34-23)19-8-6-12-30(19)24(32)18-13-15(2)16(3)14-20(18)31-26-10-11-27-31/h5,7,9-11,13-14,19H,4,6,8,12H2,1-3H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...				US Patent US9493446 (2016) BindingDB Entry DOI: 10.7270/Q2DR2TD0
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