Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401855'   

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))	BDBM401855 (2-{5-Methyl-2-[(3R,6R)-6- methyl-1-{[2-(1H-pyrazol...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1cccn1)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C22H28N6O2/c1-15-10-11-17(28-24-16(2)20(25-28)22(3,4)30)14-26(15)21(29)18-8-5-6-9-19(18)27-13-7-12-23-27/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	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))	BDBM401855 (2-{5-Methyl-2-[(3R,6R)-6- methyl-1-{[2-(1H-pyrazol...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1cccn1)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C22H28N6O2/c1-15-10-11-17(28-24-16(2)20(25-28)22(3,4)30)14-26(15)21(29)18-8-5-6-9-19(18)27-13-7-12-23-27/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.71E+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