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SMILES: CC(=O)N1CCO[C@@H](Cc2c(nc3cc(C)ccn23)-c2c(F)cc(cc2F)S(N)(=O)=O)C1

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 = 648781   
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
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM648781
PNG
(US20240034729, Compound 173)
Show SMILES CC(=O)N1CCO[C@@H](Cc2c(nc3cc(C)ccn23)-c2c(F)cc(cc2F)S(N)(=O)=O)C1 |r,wU:7.7,(-.75,-5.25,;-2.23,-4.85,;-3.32,-5.94,;-2.63,-3.37,;-4.12,-2.97,;-4.52,-1.48,;-3.43,-.39,;-1.94,-.79,;-1.17,.54,;-1.57,2.03,;-.66,3.28,;-1.57,4.52,;-3.03,4.05,;-4.37,4.82,;-5.7,4.05,;-7.04,4.82,;-5.7,2.51,;-4.37,1.74,;-3.03,2.51,;.88,3.28,;1.65,4.61,;.88,5.94,;3.19,4.61,;3.96,3.28,;3.19,1.94,;1.65,1.94,;.88,.61,;5.5,3.28,;7.04,3.28,;5.5,4.82,;5.5,1.74,;-1.54,-2.28,)|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair