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PubMed code 26099538

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
p2X7 purinoceptor


(Canis lupus familiaris)
BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of dog P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50404070
PNG
(CHEMBL338117)
Show SMILES Oc1csc(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,16,21,28H,4,7,15H2
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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor


(Cavia porcellus)
BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of guinea pig P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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antibodypedia
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of rat P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of rat P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50404070
PNG
(CHEMBL338117)
Show SMILES Oc1csc(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,16,21,28H,4,7,15H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of rat P2X7 receptor


Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%