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BDBM241773 US9409917, 70::US9409917, 71

SMILES: C[C@@H](NC(=O)C1COc2ncccc12)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=GOCMKLPZAAFVSY-CGCSKFHYSA-N

Data: 2 IC50

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 = 241773   
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))
BDBM241773
PNG
(US9409917, 70 | US9409917, 71)
Show SMILES C[C@@H](NC(=O)C1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-14(11)18)20-15(21)13-8-22-16-12(13)3-2-6-19-16/h2-7,9,13H,8H2,1H3,(H,20,21)/t9-,13?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36.5n/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))
BDBM241773
PNG
(US9409917, 70 | US9409917, 71)
Show SMILES C[C@@H](NC(=O)C1COc2ncccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O2/c1-9(11-5-4-10(17)7-14(11)18)20-15(21)13-8-22-16-12(13)3-2-6-19-16/h2-7,9,13H,8H2,1H3,(H,20,21)/t9-,13?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/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