Found 23 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421608
(CHEMBL335707)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccc(cc2)C(=O)N2CCCC2)N2C(=O)CCCC2=O)cc1 Show InChI InChI=1S/C32H33N3O6/c36-30-7-4-8-31(37)34(30)28(16-11-23-9-12-25(13-10-23)32(38)33-19-1-2-20-33)22-41-29-17-14-24(15-18-29)26-5-3-6-27(21-26)35(39)40/h3,5-6,9-10,12-15,17-18,21,28H,1-2,4,7-8,11,16,19-20,22H2 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421607
(CHEMBL129975)Show SMILES CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCCC2=O)cc1 Show InChI InChI=1S/C30H31N3O6/c1-31(2)30(36)23-12-9-21(10-13-23)11-16-26(32-28(34)7-4-8-29(32)35)20-39-27-17-14-22(15-18-27)24-5-3-6-25(19-24)33(37)38/h3,5-6,9-10,12-15,17-19,26H,4,7-8,11,16,20H2,1-2H3 | PDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421614
(CHEMBL131276)Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCCC2=O)cc1 Show InChI InChI=1S/C29H29N3O6/c1-30-29(35)22-11-8-20(9-12-22)10-15-25(31-27(33)6-3-7-28(31)34)19-38-26-16-13-21(14-17-26)23-4-2-5-24(18-23)32(36)37/h2,4-5,8-9,11-14,16-18,25H,3,6-7,10,15,19H2,1H3,(H,30,35) | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421612
(CHEMBL128514)Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)n2c(O)csc2=O)cc1 Show InChI InChI=1S/C27H25N3O6S/c1-28-26(32)20-8-5-18(6-9-20)7-12-23(29-25(31)17-37-27(29)33)16-36-24-13-10-19(11-14-24)21-3-2-4-22(15-21)30(34)35/h2-6,8-11,13-15,17,23,31H,7,12,16H2,1H3,(H,28,32) | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421611
(CHEMBL422433)Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C28H27N3O6/c1-29-28(34)21-8-5-19(6-9-21)7-12-24(30-26(32)15-16-27(30)33)18-37-25-13-10-20(11-14-25)22-3-2-4-23(17-22)31(35)36/h2-6,8-11,13-14,17,24H,7,12,15-16,18H2,1H3,(H,29,34) | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421610
(CHEMBL337413)Show SMILES CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C29H29N3O6/c1-30(2)29(35)22-9-6-20(7-10-22)8-13-25(31-27(33)16-17-28(31)34)19-38-26-14-11-21(12-15-26)23-4-3-5-24(18-23)32(36)37/h3-7,9-12,14-15,18,25H,8,13,16-17,19H2,1-2H3 | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421618
(CHEMBL130777)Show SMILES Oc1csc(=O)n1C(CCc1ccc(cc1)C(=O)N1CCCC1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C30H29N3O6S/c34-28-20-40-30(36)32(28)26(13-8-21-6-9-23(10-7-21)29(35)31-16-1-2-17-31)19-39-27-14-11-22(12-15-27)24-4-3-5-25(18-24)33(37)38/h3-7,9-12,14-15,18,20,26,34H,1-2,8,13,16-17,19H2 | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421606
(CHEMBL337188)Show SMILES CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)n2c(O)csc2=O)cc1 Show InChI InChI=1S/C28H27N3O6S/c1-29(2)27(33)21-9-6-19(7-10-21)8-13-24(30-26(32)18-38-28(30)34)17-37-25-14-11-20(12-15-25)22-4-3-5-23(16-22)31(35)36/h3-7,9-12,14-16,18,24,32H,8,13,17H2,1-2H3 | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421609
(CHEMBL131105)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccc(cc2)C(=O)N2CCCC2)N2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C31H31N3O6/c35-29-16-17-30(36)33(29)27(13-8-22-6-9-24(10-7-22)31(37)32-18-1-2-19-32)21-40-28-14-11-23(12-15-28)25-4-3-5-26(20-25)34(38)39/h3-7,9-12,14-15,20,27H,1-2,8,13,16-19,21H2 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421616
(CHEMBL335058)Show SMILES Oc1c[nH]c(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H22N4O5/c29-23-15-26-24(30)27(23)21(7-4-17-10-12-25-13-11-17)16-33-22-8-5-18(6-9-22)19-2-1-3-20(14-19)28(31)32/h1-3,5-6,8-15,21,29H,4,7,16H2,(H,26,30) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421617
(CHEMBL336571)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2C(=O)CCNC2=O)cc1 Show InChI InChI=1S/C25H24N4O5/c30-24-12-15-27-25(31)28(24)22(7-4-18-10-13-26-14-11-18)17-34-23-8-5-19(6-9-23)20-2-1-3-21(16-20)29(32)33/h1-3,5-6,8-11,13-14,16,22H,4,7,12,15,17H2,(H,27,31) | PDB
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| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421615
(CHEMBL132173)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCOC2=O)cc1 Show InChI InChI=1S/C25H25N3O5/c29-25-27(15-2-16-32-25)23(8-5-19-11-13-26-14-12-19)18-33-24-9-6-20(7-10-24)21-3-1-4-22(17-21)28(30)31/h1,3-4,6-7,9-14,17,23H,2,5,8,15-16,18H2 | PDB
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| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50414327
(CHEMBL128537)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCCC2=O)cc1 Show InChI InChI=1S/C26H27N3O4/c30-26-6-1-2-17-28(26)24(10-7-20-13-15-27-16-14-20)19-33-25-11-8-21(9-12-25)22-4-3-5-23(18-22)29(31)32/h3-5,8-9,11-16,18,24H,1-2,6-7,10,17,19H2 | PDB
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| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222401
(CHEMBL338652)Show SMILES CN1CC(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C25H24N4O5/c1-27-16-24(30)28(25(27)31)22(8-5-18-11-13-26-14-12-18)17-34-23-9-6-19(7-10-23)20-3-2-4-21(15-20)29(32)33/h2-4,6-7,9-15,22H,5,8,16-17H2,1H3 | PDB
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| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222400
(CHEMBL130520)Show SMILES CC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O4/c1-17(28)25-26-21(8-5-18-11-13-24-14-12-18)16-31-23-9-6-19(7-10-23)20-3-2-4-22(15-20)27(29)30/h2-4,6-7,9-15,21,26H,5,8,16H2,1H3,(H,25,28) | PDB
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| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222405
(CHEMBL130571)Show SMILES COC(=O)N(C)NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H26N4O5/c1-27(24(29)32-2)26-21(9-6-18-12-14-25-15-13-18)17-33-23-10-7-19(8-11-23)20-4-3-5-22(16-20)28(30)31/h3-5,7-8,10-16,21,26H,6,9,17H2,1-2H3 | PDB
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| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222403
(CHEMBL131381)Show SMILES NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H21N3O3/c22-19(7-4-16-10-12-23-13-11-16)15-27-21-8-5-17(6-9-21)18-2-1-3-20(14-18)24(25)26/h1-3,5-6,8-14,19H,4,7,15,22H2 | PDB
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| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222402
(CHEMBL424070)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCC2=O)cc1 Show InChI InChI=1S/C25H25N3O4/c29-25-5-2-16-27(25)23(9-6-19-12-14-26-15-13-19)18-32-24-10-7-20(8-11-24)21-3-1-4-22(17-21)28(30)31/h1,3-4,7-8,10-15,17,23H,2,5-6,9,16,18H2 | PDB
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| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50421613
(CHEMBL128481)Show SMILES CC1(C)NC(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C26H26N4O5/c1-26(2)24(31)29(25(32)28-26)22(9-6-18-12-14-27-15-13-18)17-35-23-10-7-19(8-11-23)20-4-3-5-21(16-20)30(33)34/h3-5,7-8,10-16,22H,6,9,17H2,1-2H3,(H,28,32) | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222399
(CHEMBL337016)Show SMILES CN1C(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C(=O)C1(C)C Show InChI InChI=1S/C27H28N4O5/c1-27(2)25(32)30(26(33)29(27)3)23(10-7-19-13-15-28-16-14-19)18-36-24-11-8-20(9-12-24)21-5-4-6-22(17-21)31(34)35/h4-6,8-9,11-17,23H,7,10,18H2,1-3H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222398
(CHEMBL128518)Show SMILES CN(NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(C)=O Show InChI InChI=1S/C24H26N4O4/c1-18(29)27(2)26-22(9-6-19-12-14-25-15-13-19)17-32-24-10-7-20(8-11-24)21-4-3-5-23(16-21)28(30)31/h3-5,7-8,10-16,22,26H,6,9,17H2,1-2H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222404
(CHEMBL129876)Show SMILES COC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O5/c1-31-23(28)26-25-20(8-5-17-11-13-24-14-12-17)16-32-22-9-6-18(7-10-22)19-3-2-4-21(15-19)27(29)30/h2-4,6-7,9-15,20,25H,5,8,16H2,1H3,(H,26,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50222397
(CHEMBL131434)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCS2(=O)=O)cc1 Show InChI InChI=1S/C24H25N3O5S/c28-27(29)22-4-1-3-21(17-22)20-6-9-24(10-7-20)32-18-23(26-15-2-16-33(26,30)31)8-5-19-11-13-25-14-12-19/h1,3-4,6-7,9-14,17,23H,2,5,8,15-16,18H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells. |
Bioorg Med Chem Lett 13: 4043-6 (2003)
BindingDB Entry DOI: 10.7270/Q2930VCQ |
More data for this
Ligand-Target Pair | |
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