Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50355799'   

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))	BDBM50355799 (CHEMBL1911744) Show SMILES C[C@@H]1COc2ccc(cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H20ClNO4S/c1-12-11-25-18-9-8-16(26(3,23)24)10-17(18)13(2)21(12)19(22)14-4-6-15(20)7-5-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 6414-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.093 BindingDB Entry DOI: 10.7270/Q2BZ66DH
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