Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM112672'   

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))	BDBM112672 (US8623863, 3-5) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1nccs1 Show InChI InChI=1S/C24H26FN3O2S/c1-16-6-8-20(23-26-10-11-31-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-30-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.80	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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