BindingDB logo
myBDB logout

null

SMILES: CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 266955   
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))
BDBM266955
PNG
(US9718790, I-2701)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:27.28,wD:30.32,(6,-1.15,;4.67,-.38,;3.33,-1.15,;2,-.38,;2,1.15,;.67,-1.15,;.67,-2.69,;-.67,-3.47,;-2,-2.69,;-3.33,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-6,-.38,;-6,1.15,;-7.34,1.93,;-7.34,3.47,;-6,4.23,;-4.67,3.47,;-4.67,1.93,;-6,5.78,;-7.34,6.54,;-4.67,6.54,;-4.67,8.08,;-3.33,-.38,;-2,-1.15,;2,-3.47,;2,-5,;3.33,-5.78,;4.67,-5,;6,-5.78,;6,-7.31,;7.34,-8.08,;4.67,-8.08,;3.33,-7.31,;3.33,-2.69,;4.67,-3.47,)|
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