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PubMed code 31005444

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510071
PNG
(CHEMBL4541082)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1I)C(F)(F)F |r|
Show InChI InChI=1S/C14H14F3IN2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)18)14(15,16)17/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510072
PNG
(CHEMBL4435339)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Br)C(F)(F)F |r|
Show InChI InChI=1S/C14H14BrF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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MCE
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PubMed
3.10n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510070
PNG
(CHEMBL2218191)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C14H14F4N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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54n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510071
PNG
(CHEMBL4541082)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1I)C(F)(F)F |r|
Show InChI InChI=1S/C14H14F3IN2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)18)14(15,16)17/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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antibodypedia
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n/an/a 5.30n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counti...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510072
PNG
(CHEMBL4435339)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Br)C(F)(F)F |r|
Show InChI InChI=1S/C14H14BrF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
PDB

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antibodypedia
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UniChem
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n/an/a 7.10n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counti...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counti...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510070
PNG
(CHEMBL2218191)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C14H14F4N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counti...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%