Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401833'   

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))	BDBM401833 (2-(2-{(3R,6R)-6-methyl-1-[(2-pyrrolidin- 1-ylpheny...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1N1CCCC1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C22H31N5O2/c1-16-10-11-17(27-23-14-20(24-27)22(2,3)29)15-26(16)21(28)18-8-4-5-9-19(18)25-12-6-7-13-25/h4-5,8-9,14,16-17,29H,6-7,10-13,15H2,1-3H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.1	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))	BDBM401833 (2-(2-{(3R,6R)-6-methyl-1-[(2-pyrrolidin- 1-ylpheny...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1N1CCCC1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C22H31N5O2/c1-16-10-11-17(27-23-14-20(24-27)22(2,3)29)15-26(16)21(28)18-8-4-5-9-19(18)25-12-6-7-13-25/h4-5,8-9,14,16-17,29H,6-7,10-13,15H2,1-3H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.83E+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