Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50029057'   

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))	BDBM50029057 (CHEMBL3343252) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cccnc2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C24H24N2O4/c1-28-21-11-10-19(13-22(21)29-2)30-16-24(17-7-4-3-5-8-17)14-20(24)23(27)26-18-9-6-12-25-15-18/h3-13,15,20H,14,16H2,1-2H3,(H,26,27)/t20-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
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