null

SMILES: COC(=O)N1[C@H](C)C[C@@H]([C@@H]1CO[C@H]1CCC(CC1)OCc1ccccc1)N(Cc1ccc(OC)cc1)S(=O)(=O)N(C)C

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 514599   

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))	BDBM514599 (US11098029, Example 35 | US11098029, Example 36) Show SMILES COC(=O)N1[C@H](C)C[C@@H]([C@@H]1CO[C@H]1CCC(CC1)OCc1ccccc1)N(Cc1ccc(OC)cc1)S(=O)(=O)N(C)C |r,wD:12.12,9.10,8.28,5.5,(5.88,-17.41,;4.41,-17.89,;4.09,-19.4,;5.24,-20.43,;2.63,-19.87,;2.15,-21.34,;3.06,-22.58,;.61,-21.34,;.13,-19.87,;1.38,-18.97,;1.38,-17.43,;2.71,-16.66,;2.71,-15.12,;4.05,-14.35,;4.05,-12.81,;2.71,-12.04,;1.38,-12.81,;1.38,-14.35,;2.71,-10.5,;1.38,-9.73,;.05,-10.5,;-1.29,-9.73,;-2.62,-10.5,;-2.62,-12.04,;-1.29,-12.81,;.05,-12.04,;-1.33,-19.4,;-2.47,-20.43,;-2.15,-21.93,;-3.3,-22.96,;-2.98,-24.47,;-1.51,-24.95,;-1.19,-26.45,;.27,-26.93,;-.37,-23.92,;-.69,-22.41,;-1.65,-17.89,;-3.16,-18.21,;-.14,-17.57,;-1.97,-16.38,;-3.44,-15.91,;-.83,-15.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C250MP
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM514599 (US11098029, Example 35 | US11098029, Example 36) Show SMILES COC(=O)N1[C@H](C)C[C@@H]([C@@H]1CO[C@H]1CCC(CC1)OCc1ccccc1)N(Cc1ccc(OC)cc1)S(=O)(=O)N(C)C |r,wD:12.12,9.10,8.28,5.5,(5.88,-17.41,;4.41,-17.89,;4.09,-19.4,;5.24,-20.43,;2.63,-19.87,;2.15,-21.34,;3.06,-22.58,;.61,-21.34,;.13,-19.87,;1.38,-18.97,;1.38,-17.43,;2.71,-16.66,;2.71,-15.12,;4.05,-14.35,;4.05,-12.81,;2.71,-12.04,;1.38,-12.81,;1.38,-14.35,;2.71,-10.5,;1.38,-9.73,;.05,-10.5,;-1.29,-9.73,;-2.62,-10.5,;-2.62,-12.04,;-1.29,-12.81,;.05,-12.04,;-1.33,-19.4,;-2.47,-20.43,;-2.15,-21.93,;-3.3,-22.96,;-2.98,-24.47,;-1.51,-24.95,;-1.19,-26.45,;.27,-26.93,;-.37,-23.92,;-.69,-22.41,;-1.65,-17.89,;-3.16,-18.21,;-.14,-17.57,;-1.97,-16.38,;-3.44,-15.91,;-.83,-15.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C250MP
					More data for this Ligand-Target Pair