Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401847'   

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))	BDBM401847 (2-{5-Methyl-2-[(3R,6R)-6-methyl-1-{[2-(1-methyleth...) Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O Show InChI InChI=1S/C21H31N5O3/c1-13(2)29-19-17(8-7-11-22-19)20(27)25-12-16(10-9-14(25)3)26-23-15(4)18(24-26)21(5,6)28/h7-8,11,13-14,16,28H,9-10,12H2,1-6H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.9	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))	BDBM401847 (2-{5-Methyl-2-[(3R,6R)-6-methyl-1-{[2-(1-methyleth...) Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)n1nc(C)c(n1)C(C)(C)O Show InChI InChI=1S/C21H31N5O3/c1-13(2)29-19-17(8-7-11-22-19)20(27)25-12-16(10-9-14(25)3)26-23-15(4)18(24-26)21(5,6)28/h7-8,11,13-14,16,28H,9-10,12H2,1-6H3/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	3.35E+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