Found 19 hits of ec50 data for polymerid = 50003841,6987,7216 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
P2X purinoceptor 7
(Homo sapiens (Human)) | 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 | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM173337
(US10323032, Example 58 | US9096596, 58 | US9604982...)Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed ... |
Bioorg Med Chem Lett 26: 3838-45 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.048
BindingDB Entry DOI: 10.7270/Q2ZC86D0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM173337
(US10323032, Example 58 | US9096596, 58 | US9604982...)Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r| | PDB
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| n/a | n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a |
Janssen Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed ... |
Bioorg Med Chem Lett 26: 3838-45 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.048
BindingDB Entry DOI: 10.7270/Q2ZC86D0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50118235
(Brilliant Blue | CHEMBL423337)Show SMILES CCOc1ccc(Nc2ccc(cc2)[C+](c2ccc(cc2C)N(CC)Cc2cccc(c2)S([O-])(=O)=O)c2ccc(cc2C)N(CC)Cc2cccc(c2)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30,48H,6-8,31-32H2,1-5H3,(H-,51,52,53,54,55,56)/p-1 | PDB
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| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 7 (P2X7) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596640
(CHEMBL5194775)Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17| | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596640
(CHEMBL5194775)Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17| | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 6.08E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596640
(CHEMBL5194775)Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17| | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 6.62E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598327
(CHEMBL5178892) | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 8.31E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598327
(CHEMBL5178892) | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 9.14E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598327
(CHEMBL5178892) | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 9.44E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50594506
(CHEMBL5183218)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r| | PDB
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| n/a | n/a | n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50594506
(CHEMBL5183218)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r| | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 2.24E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50118219
(Bz-ATP | CHEMBL339386)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H24N5O14P3/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(40-23(30)15-8-6-14(7-9-15)13-4-2-1-3-5-13)18(29)16(39-22)10-38-44(34,35)42-45(36,37)41-43(31,32)33/h1-9,11-12,16,18-19,22,29H,10H2,(H,34,35)(H,36,37)(H2,24,25,26)(H2,31,32,33)/t16-,18-,19-,22-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | 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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| n/a | n/a | n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 7 (P2X7) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50336799
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)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) | PDB
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| n/a | n/a | n/a | n/a | 9.20E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50594505
(CHEMBL5177316)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50118221
(9H-purine derivative | CHEMBL132722 | DIPHOSPHOMET...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 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)/t5-,7-,8-,11-/m1/s1 | PDB
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CHEMBL
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50594505
(CHEMBL5177316)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| | PDB
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| n/a | n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50366480
(ADENOSINE TRIPHOSPHATE | ATP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](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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| n/a | n/a | n/a | n/a | 7.80E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes
Curated by ChEMBL
| Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7) |
J Med Chem 45: 4057-93 (2002)
BindingDB Entry DOI: 10.7270/Q2VX0H71 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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