Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50005920 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)) | BDBM50126727
((S)-4-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-(N-m...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34FN5O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1 | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50404086
(CHEMBL341226)Show SMILES COc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C |TLB:20:11:18:15.14.16,THB:19:11:14:17.18.16,19:17:11.12.20:14,20:15:11.12.19:18| Show InChI InChI=1S/C20H27NO2/c1-13-17(4-3-5-18(13)23-2)21-19(22)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,6-12H2,1-2H3,(H,21,22) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126702
(CHEMBL282807 | Isoquinoline-5-sulfonic acid 4-{(S)...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H36FN5O6S2/c1-43(52(47,48)37-6-2-4-30-25-41-18-16-34(30)37)36(39(46)45-22-20-44(21-23-45)27-29-8-12-32(40)13-9-29)24-28-10-14-33(15-11-28)51-53(49,50)38-7-3-5-31-26-42-19-17-35(31)38/h2-19,25-26,36H,20-24,27H2,1H3/t36-/m0/s1 | PDB
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| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126713
(CHEMBL282173 | Isoquinoline-5-sulfonic acid 4-{(S)...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34N6O8S2/c1-41(53(48,49)36-6-2-4-28-25-39-18-16-33(28)36)35(38(45)43-22-20-42(21-23-43)30-10-12-31(13-11-30)44(46)47)24-27-8-14-32(15-9-27)52-54(50,51)37-7-3-5-29-26-40-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50404085
(CHEMBL336619)Show SMILES Clc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C18H22ClNO/c19-16-4-2-1-3-15(16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21) | PDB
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CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50411888
(CHEMBL270421)Show InChI InChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-14(19-9-20-21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,19,20) | PDB
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| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50404090
(CHEMBL424451)Show SMILES COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 |TLB:21:12:19:16.15.17,THB:20:12:15:18.19.17,20:18:12.13.21:15,21:16:12.13.20:19| Show InChI InChI=1S/C20H27NO2/c1-13-3-4-17(23-2)8-18(13)21-19(22)12-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,21,22) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415889
(CHEMBL1098723)Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H20ClFN4O2/c1-12-18(10-20(28)25-11-15-3-6-16(23)9-19(15)22)13(2)27(26-12)17-7-4-14(5-8-17)21(24)29/h3-9H,10-11H2,1-2H3,(H2,24,29)(H,25,28) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126715
(CHEMBL27837 | Isoquinoline-5-sulfonic acid 4-[(S)-...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(C)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-28-9-13-32(14-10-28)43-21-23-44(24-22-43)39(45)36(42(2)51(46,47)37-7-3-5-30-26-40-19-17-34(30)37)25-29-11-15-33(16-12-29)50-52(48,49)38-8-4-6-31-27-41-20-18-35(31)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126723
((S)-4-(3-(4-(3-chlorophenyl)piperazin-1-yl)-2-(N-m...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34ClN5O6S2/c1-42(51(46,47)36-9-2-5-28-25-40-17-15-33(28)36)35(38(45)44-21-19-43(20-22-44)31-8-4-7-30(39)24-31)23-27-11-13-32(14-12-27)50-52(48,49)37-10-3-6-29-26-41-18-16-34(29)37/h2-18,24-26,35H,19-23H2,1H3/t35-/m0/s1 | PDB
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126718
((S)-4-(3-(4-(2-chlorophenyl)piperazin-1-yl)-2-(N-m...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1Cl)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34ClN5O6S2/c1-42(51(46,47)36-10-4-6-28-25-40-18-16-31(28)36)35(38(45)44-22-20-43(21-23-44)34-9-3-2-8-33(34)39)24-27-12-14-30(15-13-27)50-52(48,49)37-11-5-7-29-26-41-19-17-32(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50423270
(CHEMBL393241)Show InChI InChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415882
(CHEMBL1094106)Show InChI InChI=1S/C14H15ClFN3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(16)5-13(10)15/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415908
(CHEMBL1094641)Show SMILES Cc1nn(c(C)c1CC(=O)NCc1cccc(Cl)c1Cl)-c1ccccc1 Show InChI InChI=1S/C20H19Cl2N3O/c1-13-17(14(2)25(24-13)16-8-4-3-5-9-16)11-19(26)23-12-15-7-6-10-18(21)20(15)22/h3-10H,11-12H2,1-2H3,(H,23,26) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50423276
(CHEMBL396587)Show InChI InChI=1S/C17H13ClF3N3S/c1-25-14-8-3-2-5-11(14)9-24-10-22-23-16(24)12-6-4-7-13(15(12)18)17(19,20)21/h2-8,10H,9H2,1H3 | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126712
(CHEMBL27711 | Isoquinoline-5-sulfonic acid 4-{(S)-...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H33Cl2N5O6S2/c1-43(52(47,48)36-6-2-4-27-24-41-16-14-31(27)36)35(38(46)45-20-18-44(19-21-45)29-10-13-33(39)34(40)23-29)22-26-8-11-30(12-9-26)51-53(49,50)37-7-3-5-28-25-42-17-15-32(28)37/h2-17,23-25,35H,18-22H2,1H3/t35-/m0/s1 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50410952
(CHEMBL208560)Show InChI InChI=1S/C14H10Cl2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50423280
(CHEMBL245561)Show InChI InChI=1S/C16H13Cl2N3S/c1-22-14-8-3-2-5-11(14)9-21-10-19-20-16(21)12-6-4-7-13(17)15(12)18/h2-8,10H,9H2,1H3 | PDB
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PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415888
(CHEMBL1096314)Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ncccn1 Show InChI InChI=1S/C18H17ClFN5O/c1-11-15(12(2)25(24-11)18-21-6-3-7-22-18)9-17(26)23-10-13-4-5-14(20)8-16(13)19/h3-8H,9-10H2,1-2H3,(H,23,26) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50423272
(CHEMBL246578)Show InChI InChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m0/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415891
(CHEMBL1094744)Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H18Cl2FN3O/c1-12-18(13(2)26(25-12)17-7-4-15(21)5-8-17)10-20(27)24-11-14-3-6-16(23)9-19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27) | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50495434
(CHEMBL131241)Show SMILES COc1ccc(Cl)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 |TLB:21:12:19:16.15.17,THB:20:12:15:18.19.17,20:18:12.13.21:15,21:16:12.13.20:19| Show InChI InChI=1S/C19H24ClNO2/c1-23-15-2-3-16(20)17(7-15)21-18(22)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,22) | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126719
((S)-4-(3-(4-benzylpiperazin-1-yl)-2-(N-methylisoqu...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-42(51(46,47)37-11-5-9-31-26-40-19-17-34(31)37)36(39(45)44-23-21-43(22-24-44)28-30-7-3-2-4-8-30)25-29-13-15-33(16-14-29)50-52(48,49)38-12-6-10-32-27-41-20-18-35(32)38/h2-20,26-27,36H,21-25,28H2,1H3/t36-/m0/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126724
(CHEMBL282808 | Isoquinoline-5-sulfonic acid 4-{(S)...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C40H37N5O7S2/c1-28(46)30-11-13-33(14-12-30)44-21-23-45(24-22-44)40(47)37(43(2)53(48,49)38-7-3-5-31-26-41-19-17-35(31)38)25-29-9-15-34(16-10-29)52-54(50,51)39-8-4-6-32-27-42-20-18-36(32)39/h3-20,26-27,37H,21-25H2,1-2H3/t37-/m0/s1 | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50411878
(CHEMBL245754)Show InChI InChI=1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3 | PDB
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| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415909
(CHEMBL1094482)Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl)-c1ccccc1 Show InChI InChI=1S/C20H19Cl2N3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(21)10-19(15)22/h3-10H,11-12H2,1-2H3,(H,23,26) | PDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50087267
((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 | PDB
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PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126717
(CHEMBL286496 | Isoquinoline-5-sulfonic acid 4-{(S)...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H34N6O6S2/c1-43(52(47,48)37-6-2-4-30-26-41-18-16-34(30)37)36(39(46)45-22-20-44(21-23-45)32-12-8-29(25-40)9-13-32)24-28-10-14-33(15-11-28)51-53(49,50)38-7-3-5-31-27-42-19-17-35(31)38/h2-19,26-27,36H,20-24H2,1H3/t36-/m0/s1 | PDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126710
(CHEMBL28152 | Isoquinoline-5-sulfonic acid 4-{(S)-...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(N)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H36N6O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24,39H2,1H3/t35-/m0/s1 | PDB
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| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126706
((S)-4-(3-(4-(4-chlorophenyl)piperazin-1-yl)-2-(N-m...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34ClN5O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1 | PDB
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415906
(CHEMBL1096096)Show SMILES Cc1nn(c(C)c1CC(=O)NC(C)(C)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H25N3O/c1-16-20(17(2)25(24-16)19-13-9-6-10-14-19)15-21(26)23-22(3,4)18-11-7-5-8-12-18/h5-14H,15H2,1-4H3,(H,23,26) | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50404074
(CHEMBL337873)Show SMILES Clc1ccc(C(=O)NCC23CC4CC(C2)CC(CNC(=O)c2ccc(Cl)cc2Cl)(C4)C3)c(Cl)c1 |TLB:14:9:29:13.15.12,12:13:30:11.10.29,12:11:30:13.15.14,THB:14:13:9.30.10:29| Show InChI InChI=1S/C26H26Cl4N2O2/c27-17-1-3-19(21(29)6-17)23(33)31-13-25-8-15-5-16(9-25)11-26(10-15,12-25)14-32-24(34)20-4-2-18(28)7-22(20)30/h1-4,6-7,15-16H,5,8-14H2,(H,31,33)(H,32,34) | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126711
(CHEMBL28374 | Isoquinoline-5-sulfonic acid 4-{(S)-...)Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)N(C)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O7S2/c1-42(52(46,47)37-7-3-5-29-26-40-19-17-34(29)37)36(39(45)44-23-21-43(22-24-44)31-11-15-32(50-2)16-12-31)25-28-9-13-33(14-10-28)51-53(48,49)38-8-4-6-30-27-41-20-18-35(30)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1 | PDB
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| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415898
(CHEMBL1096100)Show InChI InChI=1S/C19H17ClFN3O/c1-13-15(12-24(23-13)17-5-3-2-4-6-17)9-19(25)22-11-14-7-8-16(21)10-18(14)20/h2-8,10,12H,9,11H2,1H3,(H,22,25) | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415884
(CHEMBL1096049)Show InChI InChI=1S/C15H17ClFN3O/c1-9-13(10(2)20(3)19-9)7-15(21)18-8-11-4-5-12(17)6-14(11)16/h4-6H,7-8H2,1-3H3,(H,18,21) | PDB
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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50126709
(CHEMBL27106 | Isoquinoline-5-sulfonic acid 4-{(S)-...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(I)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34IN5O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1 | PDB
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| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50423269
(CHEMBL245755)Show InChI InChI=1S/C16H13Cl2N3O/c1-22-14-8-3-2-5-11(14)9-21-10-19-20-16(21)12-6-4-7-13(17)15(12)18/h2-8,10H,9H2,1H3 | PDB
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| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415913
(CHEMBL1096048)Show InChI InChI=1S/C16H19ClFN3O2/c1-10-14(11(2)21(20-10)5-6-22)8-16(23)19-9-12-3-4-13(18)7-15(12)17/h3-4,7,22H,5-6,8-9H2,1-2H3,(H,19,23) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50423282
(CHEMBL246770)Show InChI InChI=1S/C15H11Cl2N3/c16-12-7-4-8-13(15(12)17)20-14(18-10-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2 | PDB
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UniChem
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PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50423277
(CHEMBL245578)Show InChI InChI=1S/C16H13Cl2N3O/c1-22-12-5-2-4-11(8-12)9-21-10-19-20-16(21)13-6-3-7-14(17)15(13)18/h2-8,10H,9H2,1H3 | PDB
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| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50495436
(CHEMBL3108814)Show InChI InChI=1S/C15H15N5/c1-11-5-3-7-14(12(11)2)15-17-18-19-20(15)10-13-6-4-8-16-9-13/h3-9H,10H2,1-2H3 | PDB
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| Article
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| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415885
(CHEMBL1096660)Show InChI InChI=1S/C18H24ClFN4O/c1-12-16(13(2)24(22-12)8-7-23(3)4)10-18(25)21-11-14-5-6-15(20)9-17(14)19/h5-6,9H,7-8,10-11H2,1-4H3,(H,21,25) | PDB
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| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50404076
(CHEMBL337419)Show SMILES Clc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(Cl)c1 |TLB:12:13:17:11.10.16,THB:14:15:10:13.18.12,14:13:10:15.17.16,12:11:17:13.18.14| Show InChI InChI=1S/C18H21Cl2NO/c19-14-1-2-15(16(20)6-14)17(22)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22) | PDB
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| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50495438
(CHEMBL3108810)Show SMILES CC(NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 |THB:17:16:13:19.18.20,21:16:19:12.13.20| Show InChI InChI=1S/C19H24ClNO/c1-12(21-18(22)16-2-4-17(20)5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22) | PDB
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| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50495437
(CHEMBL3108813)Show SMILES Clc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |THB:14:13:10:16.15.17,18:13:16:9.10.17| Show InChI InChI=1S/C18H22ClNO/c19-15-1-3-16(4-2-15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21) | PDB
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| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415893
(CHEMBL1095395)Show InChI InChI=1S/C19H16ClFN2OS/c1-12-17(25-19(23-12)13-5-3-2-4-6-13)10-18(24)22-11-14-7-8-15(21)9-16(14)20/h2-9H,10-11H2,1H3,(H,22,24) | PDB
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PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415899
(CHEMBL1096099)Show SMILES Cc1nn(c(C)c1Cc1nnc(Cc2ccc(Cl)cc2Cl)o1)-c1ccccc1 Show InChI InChI=1S/C21H18Cl2N4O/c1-13-18(14(2)27(26-13)17-6-4-3-5-7-17)12-21-25-24-20(28-21)10-15-8-9-16(22)11-19(15)23/h3-9,11H,10,12H2,1-2H3 | PDB
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UniChem
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PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415896
(CHEMBL1096030)Show SMILES Oc1cn(CC(=O)NCc2ccc(F)cc2Cl)c(=O)n1-c1ccccc1 Show InChI InChI=1S/C18H15ClFN3O3/c19-15-8-13(20)7-6-12(15)9-21-16(24)10-22-11-17(25)23(18(22)26)14-4-2-1-3-5-14/h1-8,11,25H,9-10H2,(H,21,24) | PDB
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| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415903
(CHEMBL1094485)Show SMILES CN(Cc1ccc(F)cc1Cl)C(=O)Cc1c(C)nn(c1C)-c1ccccc1 Show InChI InChI=1S/C21H21ClFN3O/c1-14-19(15(2)26(24-14)18-7-5-4-6-8-18)12-21(27)25(3)13-16-9-10-17(23)11-20(16)22/h4-11H,12-13H2,1-3H3 | PDB
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PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50415900
(CHEMBL1095783)Show SMILES Cc1nn(c(C)c1NC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1 Show InChI InChI=1S/C19H18ClFN4O/c1-12-18(13(2)25(24-12)16-6-4-3-5-7-16)23-19(26)22-11-14-8-9-15(21)10-17(14)20/h3-10H,11H2,1-2H3,(H2,22,23,26) | PDB
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UniChem
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| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor (unknown origin) |
Bioorg Med Chem 22: 54-88 (2014)
Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7 |
More data for this
Ligand-Target Pair | |
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