Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50258775'   

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))	BDBM50258775 (17-(2H-1,2,3-triazol-2-yl)-1,20-diazapentacyclo[18...) Show SMILES O=C1N2CCCN(CC2)c2ccc3cc(CCCCc4ccc(c1c4)-n1nccn1)ccc3c2 Show InChI InChI=1S/C28H29N5O/c34-28-26-19-22(7-11-27(26)33-29-12-13-30-33)5-2-1-4-21-6-8-24-20-25(10-9-23(24)18-21)31-14-3-15-32(28)17-16-31/h6-13,18-20H,1-5,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2 receptor (unknown origin)				Bioorg Med Chem Lett 19: 2997-3001 (2009) Article DOI: 10.1016/j.bmcl.2009.04.026 BindingDB Entry DOI: 10.7270/Q22J6BR1
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