Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50136697'   

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))	BDBM50136697 (2-Benzylamino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoq...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCc1ccccc1)C(C)C Show InChI InChI=1S/C23H30N2O3/c1-16(2)22(24-14-17-8-6-5-7-9-17)23(26)25-11-10-18-12-20(27-3)21(28-4)13-19(18)15-25/h5-9,12-13,16,22,24H,10-11,14-15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
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