Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50355796'   

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))	BDBM50355796 (CHEMBL1911643) Show SMILES CCc1ccc2OC[C@@H](C)N([C@@H](C)c2c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-4-15-5-10-19-18(11-15)14(3)22(13(2)12-24-19)20(23)16-6-8-17(21)9-7-16/h5-11,13-14H,4,12H2,1-3H3/t13-,14+/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	160	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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