null

SMILES: COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccc(Cl)cc2s1

InChI Key: InChIKey=XFIKRNAXHULGOU-UONOGXRCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 256891   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM256891 (US9493432, 15) Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C21H22ClN3O3S/c1-27-16-7-4-8-17(28-2)19(16)20(26)23-13-5-3-6-14(13)24-21-25-15-10-9-12(22)11-18(15)29-21/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,23,26)(H,24,25)/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	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
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256891 (US9493432, 15) Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1nc2ccc(Cl)cc2s1 |r| Show InChI InChI=1S/C21H22ClN3O3S/c1-27-16-7-4-8-17(28-2)19(16)20(26)23-13-5-3-6-14(13)24-21-25-15-10-9-12(22)11-18(15)29-21/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,23,26)(H,24,25)/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	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