Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50203742'   

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))	BDBM50203742 (CHEMBL3976856) Show SMILES FC1(F)CCN(CC1Oc1ccc2cccnc2n1)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C22H18F2N6O2/c23-22(24)9-13-29(21(31)16-5-1-2-6-17(16)30-26-11-12-27-30)14-18(22)32-19-8-7-15-4-3-10-25-20(15)28-19/h1-8,10-12,18H,9,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from human OX2 recep...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
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