Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50374444'   

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))	BDBM50374444 (CHEMBL401653) Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1 Show InChI InChI=1S/C25H25N5O2S/c1-17-10-11-18-20(15-17)28-25(27-18)33-16-23(31)30-14-6-9-22(30)24(32)26-19-7-2-3-8-21(19)29-12-4-5-13-29/h2-5,7-8,10-13,15,22H,6,9,14,16H2,1H3,(H,26,32)(H,27,28)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
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