Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50060931'   

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))	BDBM50060931 (CHEMBL3394835) Show SMILES CC1CCC(CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(C)nc2ccccc12 Show InChI InChI=1S/C25H25N5O2/c1-17-15-24(20-7-3-5-9-22(20)28-17)32-19-12-11-18(2)29(16-19)25(31)21-8-4-6-10-23(21)30-26-13-14-27-30/h3-10,13-15,18-19H,11-12,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
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