Found 8784 hits for UniProtKB: P56373 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)) | BDBM86482
(AP6A | CAS_123694 | NSC_123694)Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26) | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86486
(ATP,TNP | CAS_644357 | NSC_644357)Show SMILES [#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-[#6]-2-[#8]C3([#8]-[#6]-1-2)[#6](=[#6]\[#6](-[#6]=[#6]3-[#7+](-[#8-])=O)=[#7+](/[#8-])-[#8-])-[#7+](-[#8-])=O |c:36,39| Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1/p-4 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86488
(ATP, Bz | CAS_81790-82-1 | NSC_0)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H]1O |r| Show InChI InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86483
(AP4A | CAS_175692 | NSC_175692)Show SMILES OC1C(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c4nccn4cnc23)OC(C1O)n1cnc2c3nccn3cnc12 Show InChI InChI=1S/C24H28N10O19P4/c35-15-11(49-23(17(15)37)33-9-27-13-19-25-1-3-31(19)7-29-21(13)33)5-47-54(39,40)51-56(43,44)53-57(45,46)52-55(41,42)48-6-12-16(36)18(38)24(50-12)34-10-28-14-20-26-2-4-32(20)8-30-22(14)34/h1-4,7-12,15-18,23-24,35-38H,5-6H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46) | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50118232
(2-MeSATP | ATP, 2-meS | CHEMBL336208)Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2X purinoceptor 2/3
(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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Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X2/3 expressed in human1321N1 cells assessed as inhibition of alpha,beta-methylene-ATP-stimulated Ca2+ influx preincub... |
Bioorg Med Chem Lett 26: 3896-904 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.009
BindingDB Entry DOI: 10.7270/Q26W9FJD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2X purinoceptor 2/3
(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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Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X2/3 expressed in human1321N1 cells assessed as inhibition of alpha,beta-methylene-ATP-stimulated Ca2+ influx preincub... |
Bioorg Med Chem Lett 26: 3896-904 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.009
BindingDB Entry DOI: 10.7270/Q26W9FJD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50026203
(({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxola...)Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)C(O)C1O Show InChI InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25) | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86485
(AP5A | CAS_440210 | NSC_440210)Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26) | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
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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| 10.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM2
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86479
(ATP,Gamma S | CAS_440317 | NSC_440317)Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)C(O)C1O Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31) | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86487
(ATP,3'-deoxy | CAS_0 | NSC_0)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@H]1O |r| Show InChI InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50118233
(2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) ...)Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86484
(ADP, Beta S | CAS_123848 | NSC_123848)Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(S)=O)C(O)C1O Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27) | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM18135
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | PDB
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50164644
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1 | PDB
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| 406 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM31995
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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| 452 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50000029
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6 | PDB
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| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM86480
(A-317344)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-/m1/s1 | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X2/3 expressed in human1321N1 cells assessed as inhibition of alpha,beta-methylene-ATP-stimulated Ca2+ influx preincub... |
Bioorg Med Chem Lett 26: 3896-904 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.009
BindingDB Entry DOI: 10.7270/Q26W9FJD |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM86480
(A-317344)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-/m1/s1 | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X2/3 expressed in human1321N1 cells assessed as inhibition of alpha,beta-methylene-ATP-stimulated Ca2+ influx preincub... |
Bioorg Med Chem Lett 26: 3896-904 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.009
BindingDB Entry DOI: 10.7270/Q26W9FJD |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86489
(AP3A | CAS_3035419 | NSC_3035419)Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OC2C(CO)OC(C2O)n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(43-19)2-41-47(35,36)45-49(39,40)46-48(37,38)44-14-7(1-31)42-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26) | PDB
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| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50300129
(CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | PDB
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| 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50023910
(({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-y...)Show SMILES OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18) | PDB
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| 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
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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| 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50135426
(CHEMBL130321 | Isoquinoline-5-sulfonic acid 4-[2-[...)Show SMILES CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 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 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM86481
(AP2A | CAS_0 | NSC_0)Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O Show InChI InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM18136
(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
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 | 0.00830 | 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 | |
P2X purinoceptor 3
(Homo sapiens (Human)) | US20240034729, Compound 178
| PDB
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| | n/a | n/a | 0.100 | 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)) | US20240034729, Compound 180
| PDB
KEGG
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| | n/a | n/a | 0.200 | 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)) | US20240034729, Compound 179
| PDB
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| | n/a | n/a | 0.400 | 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)) | US20240034729, Compound 172
| PDB
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| | n/a | n/a | 0.700 | 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)) | BDBM196325
(US9212130, I-245)Show SMILES Fc1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C28H25ClFN5O4/c29-20-3-1-18(2-4-20)17-35-27(37)25(34-26(36)19-9-11-38-12-10-19)16-32-28(35)33-22-5-7-23(8-6-22)39-24-13-21(30)14-31-15-24/h1-8,13-16,19H,9-12,17H2,(H,32,33)(H,34,36) | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ... |
US Patent US9212130 (2015)
BindingDB Entry DOI: 10.7270/Q2BG2MS2 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM196345
(US9212130, I-265)Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Show InChI InChI=1S/C29H28ClN5O4/c1-19-2-9-25(16-31-19)39-24-10-7-23(8-11-24)33-29-32-17-26(34-27(36)21-12-14-38-15-13-21)28(37)35(29)18-20-3-5-22(30)6-4-20/h2-11,16-17,21H,12-15,18H2,1H3,(H,32,33)(H,34,36) | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ... |
US Patent US9212130 (2015)
BindingDB Entry DOI: 10.7270/Q2BG2MS2 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266736
(US9718790, I-2470)Show SMILES Clc1ccc(Cn2c(=O)n(CCOC3CCCCO3)c(=O)[nH]\c2=N/c2ccc(Oc3ccsn3)cc2)cc1 | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM319931
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1 | PDB
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US Patent
| Assay Description
A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat... |
US Patent US10472354 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2197 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM319931
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1 | PDB
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Bayer Aktiengesellschaft
US Patent
| Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... |
US Patent US10202369 (2019)
BindingDB Entry DOI: 10.7270/Q2TT4T2P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM319931
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1 | PDB
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BEYER AKTIENGESELLSCHAFT
US Patent
| Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati... |
US Patent US10174016 (2019)
BindingDB Entry DOI: 10.7270/Q2GB264F |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266759
(US9718790, I-2494)Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:25.26,wD:28.30,(7.33,.38,;6,1.15,;4.67,.38,;3.33,1.15,;3.33,2.69,;2,.38,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-3.33,.38,;-4.67,1.15,;-4.67,2.69,;-3.33,3.47,;-3.33,5,;-4.67,5.77,;-6,5,;-6,3.47,;-7.34,5.78,;-8.67,6.55,;-2,1.15,;-.67,.38,;3.33,-1.93,;3.33,-3.47,;4.67,-4.24,;6,-3.47,;7.33,-4.24,;7.33,-5.78,;8.67,-6.55,;6,-6.55,;4.67,-5.78,;4.67,-1.16,;6,-1.93,)| | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266762
(US9718790, I-2497)Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:26.27,wD:29.31,(7.34,,;6,.77,;4.67,,;3.33,.77,;3.33,2.31,;2,,;2,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;-2,.77,;-3.33,,;-4.67,.77,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-4.67,5.39,;-6,4.62,;-6,3.08,;-7.34,5.39,;-8.67,4.62,;-7.34,6.93,;-3.33,-1.54,;-2,-2.31,;3.33,-2.31,;3.33,-3.85,;4.67,-4.62,;6,-3.85,;7.34,-4.62,;7.34,-6.16,;8.67,-6.93,;6,-6.93,;4.67,-6.16,;4.67,-1.54,;6,-2.31,)| | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266712
(US9718790, I-2446)Show SMILES C[C@H]1CC[C@H](Cn2c(=O)n(C)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C#N)cc2)CC1 |r,wU:4.4,wD:1.0,(8.67,-6.55,;7.34,-5.78,;7.34,-4.24,;6,-3.47,;4.67,-4.24,;3.33,-3.47,;3.33,-1.93,;4.67,-1.16,;6,-1.93,;4.67,.38,;6,1.15,;3.33,1.15,;3.33,2.69,;2,.38,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-.67,.38,;-2,1.15,;-3.33,.38,;-4.67,1.15,;-4.67,2.69,;-3.33,3.46,;-3.33,5,;-4.67,5.77,;-6,5,;-6,3.46,;-7.34,5.78,;-8.67,6.55,;-3.33,-1.16,;-2,-1.93,;4.67,-5.78,;6,-6.55,)| | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266955
(US9718790, I-2701)Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:27.28,wD:30.32,(6,-1.15,;4.67,-.38,;3.33,-1.15,;2,-.38,;2,1.15,;.67,-1.15,;.67,-2.69,;-.67,-3.47,;-2,-2.69,;-3.33,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-6,-.38,;-6,1.15,;-7.34,1.93,;-7.34,3.47,;-6,4.23,;-4.67,3.47,;-4.67,1.93,;-6,5.78,;-7.34,6.54,;-4.67,6.54,;-4.67,8.08,;-3.33,-.38,;-2,-1.15,;2,-3.47,;2,-5,;3.33,-5.78,;4.67,-5,;6,-5.78,;6,-7.31,;7.34,-8.08,;4.67,-8.08,;3.33,-7.31,;3.33,-2.69,;4.67,-3.47,)| | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266855
(US9718790, I-2593)Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(=O)NC#N)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H20ClN7O4/c1-2-32-24(35)31-23(33(25(32)36)14-16-6-8-17(26)9-7-16)29-18-10-12-19(13-11-18)37-21-5-3-4-20(30-21)22(34)28-15-27/h3-13H,2,14H2,1H3,(H,28,34)(H,29,31,35) | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266068
(US9718790, I-2113)Show SMILES COC(=O)c1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)no1 | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266086
(US9718790, I-2119)Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H21ClN6O4/c1-2-30-23(33)29-22(31(24(30)34)14-15-3-5-16(25)6-4-15)28-17-7-9-18(10-8-17)35-19-11-12-20(21(26)32)27-13-19/h3-13H,2,14H2,1H3,(H2,26,32)(H,28,29,33) | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266044
(US9718790, I-2105)Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H22ClN5O5/c1-3-30-24(33)29-23(31(25(30)34)15-16-4-6-17(26)7-5-16)28-18-8-10-19(11-9-18)36-20-12-13-21(27-14-20)22(32)35-2/h4-14H,3,15H2,1-2H3,(H,28,29,33) | PDB
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US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266301
(US9718790, I-2203)Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H23ClN6O4/c1-2-13-31-24(34)30-23(32(25(31)35)15-16-3-5-17(26)6-4-16)29-18-7-9-19(10-8-18)36-20-11-12-21(22(27)33)28-14-20/h3-12,14H,2,13,15H2,1H3,(H2,27,33)(H,29,30,34) | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM266170
(US9718790, I-2157)Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H24ClN5O5/c1-3-14-31-25(34)30-24(32(26(31)35)16-17-4-6-18(27)7-5-17)29-19-8-10-20(11-9-19)37-21-12-13-22(28-15-21)23(33)36-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30,34) | PDB
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US Patent
| Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ... |
US Patent US9718790 (2017)
BindingDB Entry DOI: 10.7270/Q22809KB |
More data for this
Ligand-Target Pair | |
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