Found 206 hits with Last Name = 'tomari' and Initial = 'm' 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)) | BDBM50257829
(2-(4-amino-5-(5-iodo-2-isopropyl-4-methoxyphenoxy)...)Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274369
(CHEMBL4126267)Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1cc(C)no1 |c:11| Show InChI InChI=1S/C28H28N2O5/c1-17-16-23(35-29-17)18-8-12-21(13-9-18)30-25(19-6-4-3-5-7-19)24(27(32)28(30)33)26(31)20-10-14-22(34-2)15-11-20/h8-16,19,25,32H,3-7H2,1-2H3 | PDB
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| PC cid
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183138
(US9150546, I-291 | US9688643, I-291 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H21ClFN5O3/c1-14(2)32-19-9-8-17(12-18(19)24)26-20-27-21(30)28(11-3-10-25)22(31)29(20)13-15-4-6-16(23)7-5-15/h4-9,12,14H,3,11,13H2,1-2H3,(H,26,27,30) | PDB
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| PC cid
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| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274344
(CHEMBL4129184)Show SMILES CCOC(=O)c1ccc(cc1)N1C(C2CCCCC2)C(C(=O)c2ccc(OC)cc2)=C(O)C1=O |t:32| Show InChI InChI=1S/C27H29NO6/c1-3-34-27(32)19-9-13-20(14-10-19)28-23(17-7-5-4-6-8-17)22(25(30)26(28)31)24(29)18-11-15-21(33-2)16-12-18/h9-17,23,30H,3-8H2,1-2H3 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183166
(US9150546, I-326 | US9688643, I-326 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-21-10-9-19(13-20(21)26)28-22-29-23(33)30(12-4-11-27-16(3)32)24(34)31(22)14-17-5-7-18(25)8-6-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,32)(H,28,29,33) | PDB
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| PC cid
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183184
(US9150546, I-348 | US9688643, I-348 | US9718790, I...)Show SMILES CCCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C22H24ClFN4O3/c1-4-11-27-21(29)26-20(25-17-9-10-19(18(24)12-17)31-14(2)3)28(22(27)30)13-15-5-7-16(23)8-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,26,29) | PDB
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| PC cid
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| Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183191
(US9150546, I-355 | US9688643, I-355 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C22H22Cl2N4O5/c1-13(2)33-18-8-7-16(11-17(18)24)25-20-26-21(31)27(10-9-19(29)30)22(32)28(20)12-14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,29,30)(H,25,26,31) | PDB
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| PC cid
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183132
(US9150546, I-285 | US9688643, I-285 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H24ClFN4O4/c1-14(2)32-19-9-8-17(12-18(19)24)25-20-26-21(30)27(10-3-11-29)22(31)28(20)13-15-4-6-16(23)7-5-15/h4-9,12,14,29H,3,10-11,13H2,1-2H3,(H,25,26,30) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50563052
(CHEMBL4748113)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl | PDB
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| PC cid
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM106291
(US8575197, II-204)Show SMILES COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C26H25N3O2S/c1-26(2,3)24-21-22(27-28-24)25(30)29(23(21)19-7-5-6-8-20(19)31-4)18-11-9-16(10-12-18)17-13-14-32-15-17/h5-15,23H,1-4H3,(H,27,28) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM106144
(US8575197, II-057)Show SMILES CCOC(=O)c1ccc(cc1)N1C(c2c(n[nH]c2C(C)(C)C)C1=O)c1ccccc1OC Show InChI InChI=1S/C25H27N3O4/c1-6-32-24(30)15-11-13-16(14-12-15)28-21(17-9-7-8-10-18(17)31-5)19-20(23(28)29)26-27-22(19)25(2,3)4/h7-14,21H,6H2,1-5H3,(H,26,27) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183201
(US9150546, I-365 | US9688643, I-365 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C23H26ClFN4O4/c1-15(2)33-20-10-9-18(13-19(20)25)26-21-27-22(31)28(11-3-4-12-30)23(32)29(21)14-16-5-7-17(24)8-6-16/h5-10,13,15,30H,3-4,11-12,14H2,1-2H3,(H,26,27,31) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274346
(CHEMBL4129491)Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1noc(C)n1 |c:11| Show InChI InChI=1S/C27H27N3O5/c1-16-28-26(29-35-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h8-15,17,23,32H,3-7H2,1-2H3 | PDB
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| PC cid
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| Article
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274400
(CHEMBL4128213)Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccc(F)cc1 |t:25| Show InChI InChI=1S/C27H22FNO6/c1-3-35-27(33)18-6-12-20(13-7-18)29-23(16-4-10-19(28)11-5-16)22(25(31)26(29)32)24(30)17-8-14-21(34-2)15-9-17/h4-15,23,31H,3H2,1-2H3 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183266
(US9150546, I-434 | US9688643, I-434 | US9718790, I...)Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H20Cl2N4O5/c1-12(2)32-17-8-7-15(9-16(17)23)24-19-25-20(30)27(11-18(28)29)21(31)26(19)10-13-3-5-14(22)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,28,29)(H,24,25,30) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274345
(CHEMBL4130242)Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1 |t:25| Show InChI InChI=1S/C27H23NO6/c1-3-34-27(32)19-9-13-20(14-10-19)28-23(17-7-5-4-6-8-17)22(25(30)26(28)31)24(29)18-11-15-21(33-2)16-12-18/h4-16,23,30H,3H2,1-2H3 | PDB
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Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548752
(CHEMBL4744004)Show SMILES CCCCc1n[nH]c2C(=O)N(C(c12)c1ccccc1OC)c1ccc(cc1)-c1ccon1 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274371
(CHEMBL4128106)Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1nc(C)no1 |c:11| Show InChI InChI=1S/C27H27N3O5/c1-16-28-26(35-29-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h8-15,17,23,32H,3-7H2,1-2H3 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548740
(CHEMBL4799974)Show SMILES COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nccs1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274365
(CHEMBL4127637)Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11| Show InChI InChI=1S/C27H26N2O5/c1-33-21-13-9-19(10-14-21)25(30)23-24(18-5-3-2-4-6-18)29(27(32)26(23)31)20-11-7-17(8-12-20)22-15-16-34-28-22/h7-16,18,24,31H,2-6H2,1H3 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548737
(CHEMBL4765176)Show SMILES COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1ccon1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548743
(CHEMBL4745598)Show SMILES COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1noc(C)n1 | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183145
(US9150546, I-298 | US9688643, I-298 | US9718790, I...)Show SMILES CNC(=O)CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H25ClFN5O4/c1-14(2)34-19-9-8-17(12-18(19)25)27-21-28-22(32)29(11-10-20(31)26-3)23(33)30(21)13-15-4-6-16(24)7-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,31)(H,27,28,32) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274415
(CHEMBL4126833)Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1cccc(F)c1 |t:25| Show InChI InChI=1S/C27H22FNO6/c1-3-35-27(33)17-7-11-20(12-8-17)29-23(18-5-4-6-19(28)15-18)22(25(31)26(29)32)24(30)16-9-13-21(34-2)14-10-16/h4-15,23,31H,3H2,1-2H3 | PDB
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Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183200
(US9150546, I-364 | US9688643, I-364 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,31,32)(H,27,28,33) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM106187
(US8575197, II-100)Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCCO)c1ccc(cc1)-c1ccon1 Show InChI InChI=1S/C26H26N4O4/c1-26(2,3)24-21-22(27-28-24)25(32)30(17-10-8-16(9-11-17)19-12-14-34-29-19)23(21)18-6-4-5-7-20(18)33-15-13-31/h4-12,14,23,31H,13,15H2,1-3H3,(H,27,28) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183097
(US9150546, I-228 | US9688643, I-228 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C22H24Cl2N4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50563048
(CHEMBL4789094)Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183139
(US9150546, I-292 | US9688643, I-292 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C23H25ClFN5O4/c1-14(2)34-20-9-8-18(12-19(20)25)27-21-28-22(32)29(11-10-26-15(3)31)23(33)30(21)13-16-4-6-17(24)7-5-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,31)(H,27,28,32) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183125
(US9150546, I-277 | US9688643, I-277 | US9718790, I...)Show SMILES CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C21H22ClFN4O3/c1-4-26-20(28)25-19(24-16-9-10-18(17(23)11-16)30-13(2)3)27(21(26)29)12-14-5-7-15(22)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,24,25,28) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183121
(US9150546, I-273 | US9688643, I-273 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C21H22ClFN4O4/c1-13(2)31-18-8-7-16(11-17(18)23)24-19-25-20(29)26(9-10-28)21(30)27(19)12-14-3-5-15(22)6-4-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,24,25,29) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183107
(US9150546, I-244 | US9688643, I-244 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H24ClFN4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2/3
(Homo sapiens (Human)) | BDBM50257829
(2-(4-amino-5-(5-iodo-2-isopropyl-4-methoxyphenoxy)...)Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22) | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human P2X2/3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183146
(US9150546, I-299 | US9688643, I-299 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(N)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H23ClFN5O4/c1-13(2)33-18-8-7-16(11-17(18)24)26-20-27-21(31)28(10-9-19(25)30)22(32)29(20)12-14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H2,25,30)(H,26,27,31) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183148
(US9150546, I-301 | US9688643, I-301 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(Cc3ccccc3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C26H24ClFN4O3/c1-17(2)35-23-13-12-21(14-22(23)28)29-24-30-25(33)32(16-18-6-4-3-5-7-18)26(34)31(24)15-19-8-10-20(27)11-9-19/h3-14,17H,15-16H2,1-2H3,(H,29,30,33) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548756
(CHEMBL4797432)Show SMILES COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)CO)c1ccc(cc1)-c1ccon1 | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183136
(US9150546, I-289 | US9688643, I-289 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H22ClFN4O5/c1-13(2)33-18-8-7-16(11-17(18)24)25-20-26-21(31)27(10-9-19(29)30)22(32)28(20)12-14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,29,30)(H,25,26,31) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274322
(CHEMBL4126038)Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1nnc(C)o1 |c:11| Show InChI InChI=1S/C27H27N3O5/c1-16-28-29-26(35-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h8-15,17,23,32H,3-7H2,1-2H3 | PDB
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Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548744
(CHEMBL4750518)Show SMILES COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1cc(C)no1 | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183199
(US9150546, I-363 | US9688643, I-363 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C23H24ClFN4O5/c1-14(2)34-19-10-9-17(12-18(19)25)26-21-27-22(32)28(11-3-4-20(30)31)23(33)29(21)13-15-5-7-16(24)8-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,30,31)(H,26,27,32) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183160
(US9150546, I-320 | US9688643, I-320 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H23ClN4O4/c1-14(2)30-18-9-7-17(8-10-18)23-19-24-20(28)25(11-12-27)21(29)26(19)13-15-3-5-16(22)6-4-15/h3-10,14,27H,11-13H2,1-2H3,(H,23,24,28) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM106296
(US8575197, II-209)Show SMILES COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(cc1)-c1ncco1 Show InChI InChI=1S/C25H24N4O3/c1-25(2,3)22-19-20(27-28-22)24(30)29(21(19)17-7-5-6-8-18(17)31-4)16-11-9-15(10-12-16)23-26-13-14-32-23/h5-14,21H,1-4H3,(H,27,28) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274321
(CHEMBL4127346)Show SMILES CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1ccccc1Cl |t:25| Show InChI InChI=1S/C27H22ClNO6/c1-3-35-27(33)17-8-12-18(13-9-17)29-23(20-6-4-5-7-21(20)28)22(25(31)26(29)32)24(30)16-10-14-19(34-2)15-11-16/h4-15,23,31H,3H2,1-2H3 | PDB
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Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM106116
(US8575197, II-029)Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC(O)=O)c1ccc(cc1)-c1ccon1 Show InChI InChI=1S/C26H24N4O5/c1-26(2,3)24-21-22(27-28-24)25(33)30(16-10-8-15(9-11-16)18-12-13-35-29-18)23(21)17-6-4-5-7-19(17)34-14-20(31)32/h4-13,23H,14H2,1-3H3,(H,27,28)(H,31,32) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
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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Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM183135
(US9150546, I-288 | US9688643, I-288 | US9718790, I...)Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C21H19ClFN5O3/c1-13(2)31-18-8-7-16(11-17(18)23)25-19-26-20(29)27(10-9-24)21(30)28(19)12-14-3-5-15(22)6-4-14/h3-8,11,13H,10,12H2,1-2H3,(H,25,26,29) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548742
(CHEMBL4745262)Show SMILES COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nc(C)no1 | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50274372
(CHEMBL4127133)Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)-c1noc(C)n1 |c:11| Show InChI InChI=1S/C27H21N3O5/c1-16-28-26(29-35-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h3-15,23,32H,1-2H3 | PDB
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Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a... |
Bioorg Med Chem Lett 28: 2338-2342 (2018)
Article DOI: 10.1016/j.bmcl.2017.04.060
BindingDB Entry DOI: 10.7270/Q2W95CP6 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50548754
(CHEMBL4758458)Show SMILES CC(C)(C)c1n[nH]c2C(=O)N(C(c12)c1ccccc1OCCS(C)(=O)=O)c1ccc(cc1)-c1ccon1 | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM106160
(US8575197, II-073)Show SMILES COc1ccccc1C1N(C(=O)c2n[nH]c(CC(C)(C)C)c12)c1ccc(cc1)-c1ccon1 Show InChI InChI=1S/C26H26N4O3/c1-26(2,3)15-20-22-23(28-27-20)25(31)30(24(22)18-7-5-6-8-21(18)32-4)17-11-9-16(10-12-17)19-13-14-33-29-19/h5-14,24H,15H2,1-4H3,(H,27,28) | PDB
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TBA
| Assay Description
Antagonist activity at human P2X3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127636
BindingDB Entry DOI: 10.7270/Q2CZ3BS8 |
More data for this
Ligand-Target Pair | |
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