Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM203419'   

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))	BDBM203419 (2-({(3r,6r)-1-[(2-cyclopropyl- 6-methoxypyridin-3-...) Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)C1CC1 |r| Show InChI InChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	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))	BDBM203419 (2-({(3r,6r)-1-[(2-cyclopropyl- 6-methoxypyridin-3-...) Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)C1CC1 |r| Show InChI InChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	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))	BDBM203419 (2-({(3r,6r)-1-[(2-cyclopropyl- 6-methoxypyridin-3-...) Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)C1CC1 |r| Show InChI InChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	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))	BDBM203419 (2-({(3r,6r)-1-[(2-cyclopropyl- 6-methoxypyridin-3-...) Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)C1CC1 |r| Show InChI InChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	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