Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50384427'   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384427 (CHEMBL2031490 | US9896452, Example 139) Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...				J Med Chem 48: 2906-15 (2005) BindingDB Entry DOI: 10.7270/Q22J6F5N
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384427 (CHEMBL2031490 | US9896452, Example 139) Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair