Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM205109'   

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))	BDBM205109 (2-({(3r,6r)-1-[(2- ethoxyphenyl)carbonyl]-6- methy...) Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H25N3O3/c1-4-27-20-8-6-5-7-19(20)22(26)25-14-18(10-9-15(25)2)28-21-16(3)17(13-23)11-12-24-21/h5-8,11-12,15,18H,4,9-10,14H2,1-3H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...				US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM205109 (2-({(3r,6r)-1-[(2- ethoxyphenyl)carbonyl]-6- methy...) Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H25N3O3/c1-4-27-20-8-6-5-7-19(20)22(26)25-14-18(10-9-15(25)2)28-21-16(3)17(13-23)11-12-24-21/h5-8,11-12,15,18H,4,9-10,14H2,1-3H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 27: 1364-1370 (2017) Article DOI: 10.1016/j.bmcl.2017.02.012 BindingDB Entry DOI: 10.7270/Q2WH2S8Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM205109 (2-({(3r,6r)-1-[(2- ethoxyphenyl)carbonyl]-6- methy...) Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H25N3O3/c1-4-27-20-8-6-5-7-19(20)22(26)25-14-18(10-9-15(25)2)28-21-16(3)17(13-23)11-12-24-21/h5-8,11-12,15,18H,4,9-10,14H2,1-3H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A a...				Bioorg Med Chem Lett 27: 1364-1370 (2017) Article DOI: 10.1016/j.bmcl.2017.02.012 BindingDB Entry DOI: 10.7270/Q2WH2S8Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM205109 (2-({(3r,6r)-1-[(2- ethoxyphenyl)carbonyl]-6- methy...) Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C22H25N3O3/c1-4-27-20-8-6-5-7-19(20)22(26)25-14-18(10-9-15(25)2)28-21-16(3)17(13-23)11-12-24-21/h5-8,11-12,15,18H,4,9-10,14H2,1-3H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...				US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW
					More data for this Ligand-Target Pair