Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401817'   

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 (Rattus norvegicus (Rat))	BDBM401817 (2-{2-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3- triazol-2-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C18H23N7O2S/c1-12-4-5-13(24-21-10-15(22-24)18(2,3)27)11-23(12)16(26)14-6-9-28-17(14)25-19-7-8-20-25/h6-10,12-13,27H,4-5,11H2,1-3H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM401817 (2-{2-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3- triazol-2-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C18H23N7O2S/c1-12-4-5-13(24-21-10-15(22-24)18(2,3)27)11-23(12)16(26)14-6-9-28-17(14)25-19-7-8-20-25/h6-10,12-13,27H,4-5,11H2,1-3H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair