Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401852'   

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))	BDBM401852 (2-{5-mMethyl-2-[(3R,6R)-6- methyl-1-{[2-(2,2,2- tr...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C20H26F3N5O3/c1-12-7-8-14(28-25-13(2)16(26-28)19(3,4)30)10-27(12)18(29)15-6-5-9-24-17(15)31-11-20(21,22)23/h5-6,9,12,14,30H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	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))	BDBM401852 (2-{5-mMethyl-2-[(3R,6R)-6- methyl-1-{[2-(2,2,2- tr...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C20H26F3N5O3/c1-12-7-8-14(28-25-13(2)16(26-28)19(3,4)30)10-27(12)18(29)15-6-5-9-24-17(15)31-11-20(21,22)23/h5-6,9,12,14,30H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.52E+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