Found 254 hits with Last Name = 'park' and Initial = 'cs' 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 3
(Homo sapiens (Human)) | BDBM50219120
(CHEMBL395493 | LVVYPWT)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
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| n/a | n/a | 0.00830 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage cl... |
J Med Chem 50: 4543-7 (2007)
Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50219120
(CHEMBL395493 | LVVYPWT)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
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| n/a | n/a | 0.0481 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current in presence of ... |
J Med Chem 50: 4543-7 (2007)
Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609365
(CHEMBL5282123)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(C)(CNS(N)(=O)=O)CC1 | PDB
Reactome pathway
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| | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50219121
(AVVYPWT | CHEMBL238310)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C42H58N8O10/c1-21(2)33(48-40(57)34(22(3)4)47-36(53)23(5)43)39(56)46-31(18-25-13-15-27(52)16-14-25)41(58)50-17-9-12-32(50)38(55)45-30(37(54)49-35(24(6)51)42(59)60)19-26-20-44-29-11-8-7-10-28(26)29/h7-8,10-11,13-16,20-24,30-35,44,51-52H,9,12,17-19,43H2,1-6H3,(H,45,55)(H,46,56)(H,47,53)(H,48,57)(H,49,54)(H,59,60)/t23-,24+,30-,31-,32-,33-,34-,35-/m0/s1 | PDB
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Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage cl... |
J Med Chem 50: 4543-7 (2007)
Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Mus musculus) | BDBM50102295
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25) | Reactome pathway
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609356
(CHEMBL5278177)Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1ccc(CNS(N)(=O)=O)c(F)c1 | PDB
Reactome pathway
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| PC cid
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| | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50219123
(CHEMBL395723 | LAVYPWT)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C43H60N8O10/c1-22(2)18-30(44)38(55)46-24(5)37(54)49-35(23(3)4)41(58)48-33(19-26-13-15-28(53)16-14-26)42(59)51-17-9-12-34(51)40(57)47-32(39(56)50-36(25(6)52)43(60)61)20-27-21-45-31-11-8-7-10-29(27)31/h7-8,10-11,13-16,21-25,30,32-36,45,52-53H,9,12,17-20,44H2,1-6H3,(H,46,55)(H,47,57)(H,48,58)(H,49,54)(H,50,56)(H,60,61)/t24-,25+,30-,32-,33-,34-,35-,36-/m0/s1 | PDB
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Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage cl... |
J Med Chem 50: 4543-7 (2007)
Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86478
(A-317491)Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12 Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1 | PDB
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Article
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2X purinoceptor 1
(RAT) | BDBM50102295
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25) | Reactome pathway
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant rat P2X1 receptor expressed in Xenopus oocytes assessed as ion flux stimulation |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609368
(CHEMBL5287511)Show SMILES Cl.CN1Cc2c(NCc3ccc(NS(N)(=O)=O)cc3)ncnc2NC1=O | PDB
Reactome pathway
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| | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609362
(CHEMBL5282991)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(CNS(N)(=O)=O)CC1 | PDB
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Citation and Details
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444434
(CHEMBL3091630)Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(\C=C\C(O)=O)c(C=O)c1O Show InChI InChI=1S/C23H19NO5/c1-15-23(28)20(14-25)19(10-11-22(26)27)21(24-15)13-16-6-5-9-18(12-16)29-17-7-3-2-4-8-17/h2-12,14,28H,13H2,1H3,(H,26,27)/b11-10+ | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50219122
(CHEMBL397926 | cyclic LVVYPWT)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)[C@@H](C)O Show InChI InChI=1S/C45H62N8O9/c1-23(2)19-32-39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)45(62)53-18-10-13-35(53)41(58)47-33(40(57)52-38(26(7)54)44(61)48-32)21-28-22-46-31-12-9-8-11-30(28)31/h8-9,11-12,14-17,22-26,32-38,46,54-55H,10,13,18-21H2,1-7H3,(H,47,58)(H,48,61)(H,49,59)(H,50,56)(H,51,60)(H,52,57)/t26-,32+,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
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Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage cl... |
J Med Chem 50: 4543-7 (2007)
Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86478
(A-317491)Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12 Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1 | PDB
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Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor transfected in human 1321N1 cells assessed as inhibition of alpha, beta me-ATP-induced current... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2X purinoceptor 1
(Mus musculus) | BDBM85043
(CAS_149017-66-3 | CHEMBL69234 | NSC_6093163 | PPAD...)Show SMILES Cc1nc(N=Nc2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3| Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28) | Reactome pathway
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| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse P2X1 receptor |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50064800
(2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3| Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-4-8(31(23,24)25)2-3-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28) | PDB
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| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage cl... |
J Med Chem 50: 4543-7 (2007)
Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444431
(CHEMBL3091628)Show SMILES Cc1nc(Cc2cccc3ccccc23)c(\C=C\C(O)=O)c(C=O)c1O Show InChI InChI=1S/C21H17NO4/c1-13-21(26)18(12-23)17(9-10-20(24)25)19(22-13)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,12,26H,11H2,1H3,(H,24,25)/b10-9+ | PDB
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| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
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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| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced accumulation of ethidium+ after 120 mins... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609367
(CHEMBL5279977)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC2(CCN(C2)S(N)(=O)=O)CC1 | PDB
Reactome pathway
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Citation and Details
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More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609359
(CHEMBL5280052)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1cccc(CNS(N)(=O)=O)c1 | PDB
Reactome pathway
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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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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X7 receptor assessed as inhibition of BzATP-mediated Yo-Pro uptake measured for 1 hr by FLIPR assay |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609366
(CHEMBL5287838)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(C)(CC1)NS(N)(=O)=O | PDB
Reactome pathway
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM85043
(CAS_149017-66-3 | CHEMBL69234 | NSC_6093163 | PPAD...)Show SMILES Cc1nc(N=Nc2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3| Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28) | PDB
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Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Mus musculus) | BDBM50444432
(CHEMBL3091610)Show SMILES Cc1nc(CCc2ccc(cc2)C(O)=O)c(C(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C17H15NO7/c1-8-14(19)13(17(24)25)12(16(22)23)11(18-8)7-4-9-2-5-10(6-3-9)15(20)21/h2-3,5-6,19H,4,7H2,1H3,(H,20,21)(H,22,23)(H,24,25) | Reactome pathway
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| n/a | n/a | 267 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609355
(CHEMBL5276377)Show SMILES Cl.CN1Cc2c(nccc2-c2ccc(CNS(N)(=O)=O)cc2)N(C)C1=O | PDB
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More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609360
(CHEMBL5272310)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1cccc(NS(N)(=O)=O)c1 | PDB
Reactome pathway
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444427
(CHEMBL3091631)Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(CCC(O)=O)c(C=O)c1O Show InChI InChI=1S/C23H21NO5/c1-15-23(28)20(14-25)19(10-11-22(26)27)21(24-15)13-16-6-5-9-18(12-16)29-17-7-3-2-4-8-17/h2-9,12,14,28H,10-11,13H2,1H3,(H,26,27) | PDB
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Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444433
(CHEMBL3091632)Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(\C=C\C(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C23H19NO6/c1-14-22(27)21(23(28)29)18(10-11-20(25)26)19(24-14)13-15-6-5-9-17(12-15)30-16-7-3-2-4-8-16/h2-12,27H,13H2,1H3,(H,25,26)(H,28,29)/b11-10+ | PDB
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| n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609352
(CHEMBL5290907)Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1ccc(CNS(N)(=O)=O)cc1 | PDB
Reactome pathway
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Mus musculus) | BDBM50444425
(CHEMBL3091607)Show InChI InChI=1S/C17H17NO6/c1-9-15(19)14(17(22)23)13(16(20)21)12(18-9)8-5-10-3-6-11(24-2)7-4-10/h3-4,6-7,19H,5,8H2,1-2H3,(H,20,21)(H,22,23) | Reactome pathway
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| n/a | n/a | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609357
(CHEMBL5285218)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1ccc(CNS(N)(=O)=O)cc1 | PDB
Reactome pathway
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444432
(CHEMBL3091610)Show SMILES Cc1nc(CCc2ccc(cc2)C(O)=O)c(C(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C17H15NO7/c1-8-14(19)13(17(24)25)12(16(22)23)11(18-8)7-4-9-2-5-10(6-3-9)15(20)21/h2-3,5-6,19H,4,7H2,1H3,(H,20,21)(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 458 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444425
(CHEMBL3091607)Show InChI InChI=1S/C17H17NO6/c1-9-15(19)14(17(22)23)13(16(20)21)12(18-9)8-5-10-3-6-11(24-2)7-4-10/h3-4,6-7,19H,5,8H2,1-2H3,(H,20,21)(H,22,23) | PDB
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444435
(CHEMBL3091619)Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(C(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C21H17NO6/c1-12-19(23)18(21(26)27)17(20(24)25)16(22-12)11-13-6-5-9-15(10-13)28-14-7-3-2-4-8-14/h2-10,23H,11H2,1H3,(H,24,25)(H,26,27) | PDB
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| n/a | n/a | 474 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609351
(CHEMBL5275034)Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1cccc(CNS(N)(=O)=O)c1 | PDB
Reactome pathway
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More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444429
(CHEMBL3091620)Show SMILES Cc1nc(CCc2cccc(Oc3ccccc3)c2)c(C(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C22H19NO6/c1-13-20(24)19(22(27)28)18(21(25)26)17(23-13)11-10-14-6-5-9-16(12-14)29-15-7-3-2-4-8-15/h2-9,12,24H,10-11H2,1H3,(H,25,26)(H,27,28) | PDB
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| n/a | n/a | 587 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444421
(CHEMBL3091629)Show InChI InChI=1S/C21H19NO4/c1-13-21(26)18(12-23)17(9-10-20(24)25)19(22-13)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,12,26H,9-11H2,1H3,(H,24,25) | PDB
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| n/a | n/a | 636 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444424
(CHEMBL3091633)Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(CCC(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C23H21NO6/c1-14-22(27)21(23(28)29)18(10-11-20(25)26)19(24-14)13-15-6-5-9-17(12-15)30-16-7-3-2-4-8-16/h2-9,12,27H,10-11,13H2,1H3,(H,25,26)(H,28,29) | PDB
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| n/a | n/a | 638 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Mus musculus) | BDBM50444420
(CHEMBL3091605)Show InChI InChI=1S/C16H15NO5/c1-9-14(18)13(16(21)22)12(15(19)20)11(17-9)8-7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,19,20)(H,21,22) | Reactome pathway
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| n/a | n/a | 645 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444428
(CHEMBL3091635)Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c2C(=O)OC(O)c2c1O Show InChI InChI=1S/C21H17NO5/c1-12-19(23)18-17(20(24)27-21(18)25)16(22-12)11-13-6-5-9-15(10-13)26-14-7-3-2-4-8-14/h2-10,21,23,25H,11H2,1H3 | PDB
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| n/a | n/a | 652 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609364
(CHEMBL5286609)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(C)(CCNS(N)(=O)=O)CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 669 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444419
(CHEMBL3091625)Show InChI InChI=1S/C15H12N2O6/c1-7-11(18)9(14(20)21)10(15(22)23)12(16-7)17-13(19)8-5-3-2-4-6-8/h2-6,18H,1H3,(H,20,21)(H,22,23)(H,16,17,19) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 723 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609363
(CHEMBL5289139)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(CC1)NS(N)(=O)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609350
(CHEMBL5278671)Show SMILES Cl.CN1Cc2c(NC1=O)nccc2-c1cccc(NS(N)(=O)=O)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 766 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 1
(Mus musculus) | BDBM50444418
(CHEMBL3091606)Show InChI InChI=1S/C16H13NO5/c1-9-14(18)13(16(21)22)12(15(19)20)11(17-9)8-7-10-5-3-2-4-6-10/h2-8,18H,1H3,(H,19,20)(H,21,22)/b8-7+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 768 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609361
(CHEMBL5279855)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(CCNS(N)(=O)=O)CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 773 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444420
(CHEMBL3091605)Show InChI InChI=1S/C16H15NO5/c1-9-14(18)13(16(21)22)12(15(19)20)11(17-9)8-7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,19,20)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 797 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444426
(CHEMBL3091618)Show SMILES Cc1nc(CC(c2ccccc2)c2ccccc2)c(C(O)=O)c(C(O)=O)c1O Show InChI InChI=1S/C22H19NO5/c1-13-20(24)19(22(27)28)18(21(25)26)17(23-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,24H,12H2,1H3,(H,25,26)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 824 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50444423
(CHEMBL3091634)Show InChI InChI=1S/C19H15NO4/c1-10-17(21)16-15(18(22)24-19(16)23)14(20-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,19,21,23H,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 856 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo... |
Eur J Med Chem 70: 811-30 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50609358
(CHEMBL5274733)Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2-c1ccc(CNS(N)(=O)=O)c(F)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 916 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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