Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM256897'   

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))	BDBM256897 (US9493432, 21) Show SMILES Cc1ccc(c(c1)C(=O)N[C@@H]1CCC[C@@H]1Nc1cnc2ccccc2n1)-n1nccn1 |r| Show InChI InChI=1S/C23H23N7O/c1-15-9-10-21(30-25-11-12-26-30)16(13-15)23(31)29-20-8-4-7-19(20)28-22-14-24-17-5-2-3-6-18(17)27-22/h2-3,5-6,9-14,19-20H,4,7-8H2,1H3,(H,27,28)(H,29,31)/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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
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