Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM256877'   

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 (Homo sapiens (Human))	BDBM256877 (US9493432, 1) Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1cnc2ccccc2n1 |r| Show InChI InChI=1S/C22H24N4O3/c1-28-18-11-6-12-19(29-2)21(18)22(27)26-17-10-5-9-16(17)25-20-13-23-14-7-3-4-8-15(14)24-20/h3-4,6-8,11-13,16-17H,5,9-10H2,1-2H3,(H,24,25)(H,26,27)/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	0.840	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair