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SMILES: C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(CCCCCC(=O)N12)c3

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559667   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))		BDBM559667
PNG
(WO2022109117, Example 12)
Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(CCCCCC(=O)N12)c3 |wD:1.0,3.3,14.14,17.16,11.34,(17.35,6.53,;16.85,5.1,;17.71,3.85,;16.79,2.65,;17.22,1.2,;18.69,.85,;19.05,2.32,;18.34,-.63,;20.17,.5,;20.6,-.96,;21.21,1.6,;15.36,3.15,;14.75,1.71,;13.61,.63,;12.06,.34,;11.8,1.85,;10.39,2.4,;9.13,1.51,;9.42,-.03,;10.84,-.6,;7.92,2.59,;6.37,2.51,;5.46,3.74,;6.1,5.12,;7.63,5.32,;8.33,6.72,;9.48,7.75,;10.94,8.19,;12.48,8.05,;13.85,7.35,;14.88,6.19,;16.19,6.95,;15.39,4.67,;8.48,4.04,)|
PDB

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KEGG

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PC cid
PC sid
UniChem
n/an/a 0.340n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair