Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM208531'   

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))	BDBM208531 (US9266870, 47) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cc1cnn(c1)-c1ccc(F)cn1)-n1nccn1 Show InChI InChI=1S/C23H22FN7O2/c1-16-3-5-20(31-26-7-8-27-31)19(11-16)23(32)29-9-2-10-33-22(29)12-17-13-28-30(15-17)21-6-4-18(24)14-25-21/h3-8,11,13-15,22H,2,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.4	37
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...				US Patent US9266870 (2016) BindingDB Entry DOI: 10.7270/Q2J38RCP
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