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SMILES: OCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12

InChI Key: InChIKey=GYTSAQDZDZROII-UHFFFAOYSA-N

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 2 hits for monomerid = 241727   
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 7


(Homo sapiens (Human))
BDBM241727
PNG
(US9409917, 24 | US9409917, 25)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(14(18)5-10)6-20-15(22)13-8-23-16-11(13)2-1-3-19-16/h1-5,13,21H,6-8H2,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM241727
PNG
(US9409917, 24 | US9409917, 25)
Show SMILES OCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
Show InChI InChI=1S/C16H14Cl2N2O3/c17-10-4-9(7-21)12(14(18)5-10)6-20-15(22)13-8-23-16-11(13)2-1-3-19-16/h1-5,13,21H,6-8H2,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39.4n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...


US Patent US9409917 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2VC8
More data for this
Ligand-Target Pair