Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM112670'   

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))	BDBM112670 (US8623863, 3-3) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 Show InChI InChI=1S/C27H30FN3O2/c1-18-8-10-23(26-29-12-5-13-30-26)24(14-18)27(32)31-16-21(7-4-6-20(31)3)17-33-22-9-11-25(28)19(2)15-22/h5,8-15,20-21H,4,6-7,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	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 US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
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