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SMILES: C[C@H]1CC[C@H](Cn2c(=O)n(C)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C#N)cc2)CC1

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 = 266712   
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))
BDBM266712
PNG
(US9718790, I-2446)
Show SMILES C[C@H]1CC[C@H](Cn2c(=O)n(C)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C#N)cc2)CC1 |r,wU:4.4,wD:1.0,(8.67,-6.55,;7.34,-5.78,;7.34,-4.24,;6,-3.47,;4.67,-4.24,;3.33,-3.47,;3.33,-1.93,;4.67,-1.16,;6,-1.93,;4.67,.38,;6,1.15,;3.33,1.15,;3.33,2.69,;2,.38,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-.67,.38,;-2,1.15,;-3.33,.38,;-4.67,1.15,;-4.67,2.69,;-3.33,3.46,;-3.33,5,;-4.67,5.77,;-6,5,;-6,3.46,;-7.34,5.78,;-8.67,6.55,;-3.33,-1.16,;-2,-1.93,;4.67,-5.78,;6,-6.55,)|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9718790 (2017)


Article DOI: 10.1021/jm970615f
More data for this
Ligand-Target Pair