Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401789'   

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))	BDBM401789 ((2-Cyclopropylphenyl)((2R,5R)-5- (4-(2-hydroxyprop...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H28N4O2/c1-14-8-11-16(25-22-12-19(23-25)21(2,3)27)13-24(14)20(26)18-7-5-4-6-17(18)15-9-10-15/h4-7,12,14-16,27H,8-11,13H2,1-3H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.9	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))	BDBM401789 ((2-Cyclopropylphenyl)((2R,5R)-5- (4-(2-hydroxyprop...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H28N4O2/c1-14-8-11-16(25-22-12-19(23-25)21(2,3)27)13-24(14)20(26)18-7-5-4-6-17(18)15-9-10-15/h4-7,12,14-16,27H,8-11,13H2,1-3H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.46E+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