Found 44 hits of Enzyme Inhibition Constant Data 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)) | BDBM50379718
(CHEMBL2011127)Show SMILES CC(C)N1Cc2c(nc(nc2N(C)Cc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C26H31N7O2/c1-17(2)33-16-22-23(25(33)35)28-26(32-11-9-31(10-12-32)18(3)34)29-24(22)30(4)15-21-13-19-7-5-6-8-20(19)14-27-21/h5-8,13-14,17H,9-12,15-16H2,1-4H3 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379716
(CHEMBL2011125)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cnc3ccccc3c2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-20-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(20)27-14-18-12-19-6-4-5-7-21(19)26-13-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379717
(CHEMBL2011126)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-21-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(21)27-14-20-12-18-6-4-5-7-19(18)13-26-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379714
(CHEMBL2011123)Show SMILES CCOc1ccc(cc1F)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H33FN6O3/c1-6-35-21-8-7-18(13-20(21)26)16(4)27-23-19-14-32(15(2)3)24(34)22(19)28-25(29-23)31-11-9-30(10-12-31)17(5)33/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,27,28,29)/t16-/m1/s1 | PDB
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PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379719
(CHEMBL2011118)Show SMILES CC(C)N1Cc2c(nc(nc2N[C@H](C)c2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O |r| Show InChI InChI=1S/C24H29F3N6O3/c1-14(2)33-13-19-20(22(33)35)29-23(32-11-9-31(10-12-32)16(4)34)30-21(19)28-15(3)17-5-7-18(8-6-17)36-24(25,26)27/h5-8,14-15H,9-13H2,1-4H3,(H,28,29,30)/t15-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379736
(CHEMBL2011116)Show SMILES COc1cc(OC(F)(F)F)ccc1CNc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H29F3N6O4/c1-14(2)33-13-18-20(22(33)35)29-23(32-9-7-31(8-10-32)15(3)34)30-21(18)28-12-16-5-6-17(11-19(16)36-4)37-24(25,26)27/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,28,29,30) | PDB
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PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379711
(CHEMBL2011120)Show SMILES CCOc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H34N6O3/c1-6-34-20-9-7-19(8-10-20)17(4)26-23-21-15-31(16(2)3)24(33)22(21)27-25(28-23)30-13-11-29(12-14-30)18(5)32/h7-10,16-17H,6,11-15H2,1-5H3,(H,26,27,28)/t17-/m1/s1 | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379713
(CHEMBL2011122)Show SMILES CCOc1ccc(cc1)[C@H](Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N6O3/c1-5-37-18-8-6-17(7-9-18)21(25(26,27)28)30-22-19-14-34(15(2)3)23(36)20(19)29-24(31-22)33-12-10-32(11-13-33)16(4)35/h6-9,15,21H,5,10-14H2,1-4H3,(H,29,30,31)/t21-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379712
(CHEMBL2011121)Show SMILES CCOc1ccc(cc1)[C@@H](CC)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C26H36N6O3/c1-6-22(19-8-10-20(11-9-19)35-7-2)27-24-21-16-32(17(3)4)25(34)23(21)28-26(29-24)31-14-12-30(13-15-31)18(5)33/h8-11,17,22H,6-7,12-16H2,1-5H3,(H,27,28,29)/t22-/m1/s1 | PDB
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PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379708
(CHEMBL2010931)Show SMILES COCCNc1nc2C(=O)N(Cc2c(NC(c2ccccc2)c2ccccc2)n1)C(C)C Show InChI InChI=1S/C25H29N5O2/c1-17(2)30-16-20-22(24(30)31)28-25(26-14-15-32-3)29-23(20)27-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3,(H2,26,27,28,29) | PDB
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| Article
PubMed
| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379734
(CHEMBL2011111)Show SMILES CC(C)N1Cc2c(nc(nc2NCC2(CCC2)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C26H33ClN6O2/c1-17(2)33-15-21-22(24(33)35)29-25(32-13-11-31(12-14-32)18(3)34)30-23(21)28-16-26(9-4-10-26)19-5-7-20(27)8-6-19/h5-8,17H,4,9-16H2,1-3H3,(H,28,29,30) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379724
(CHEMBL2010933)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C28H32N6O2/c1-19(2)34-18-23-25(27(34)36)30-28(33-16-14-32(15-17-33)20(3)35)31-26(23)29-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19,24H,14-18H2,1-3H3,(H,29,30,31) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
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UniChem
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PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at rat P2X3 receptor |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379706
(CHEMBL2011115)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H27F3N6O3/c1-14(2)32-13-18-19(21(32)34)28-22(31-10-8-30(9-11-31)15(3)33)29-20(18)27-12-16-4-6-17(7-5-16)35-23(24,25)26/h4-7,14H,8-13H2,1-3H3,(H,27,28,29) | PDB
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PubMed
| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379722
(CHEMBL2010930)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCC(C2)NC(C)=O)C1=O Show InChI InChI=1S/C28H32N6O2/c1-18(2)34-17-23-25(27(34)36)31-28(33-15-14-22(16-33)29-19(3)35)32-26(23)30-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,22,24H,14-17H2,1-3H3,(H,29,35)(H,30,31,32) | PDB
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Similars
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PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379725
(CHEMBL2011102)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC2)S(C)(=O)=O)C1=O Show InChI InChI=1S/C27H32N6O3S/c1-19(2)33-18-22-24(26(33)34)29-27(31-14-16-32(17-15-31)37(3,35)36)30-25(22)28-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,14-18H2,1-3H3,(H,28,29,30) | PDB
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PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379726
(CHEMBL2011103)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC(=O)N(C)C)CC2)C1=O Show InChI InChI=1S/C30H37N7O2/c1-21(2)37-19-24-27(29(37)39)32-30(36-17-15-35(16-18-36)20-25(38)34(3)4)33-28(24)31-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,21,26H,15-20H2,1-4H3,(H,31,32,33) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379732
(CHEMBL2011109)Show SMILES CC(C)N1Cc2c(nc(nc2NCC(C)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C24H31ClN6O2/c1-15(2)31-14-20-21(23(31)33)27-24(30-11-9-29(10-12-30)17(4)32)28-22(20)26-13-16(3)18-5-7-19(25)8-6-18/h5-8,15-16H,9-14H2,1-4H3,(H,26,27,28) | PDB
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| n/a | n/a | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379715
(CHEMBL2011124)Show SMILES CCOc1ncc(cc1F)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C24H32FN7O3/c1-6-35-22-19(25)11-17(12-26-22)15(4)27-21-18-13-32(14(2)3)23(34)20(18)28-24(29-21)31-9-7-30(8-10-31)16(5)33/h11-12,14-15H,6-10,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1 | PDB
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| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379709
(CHEMBL2011117)Show SMILES CC(C)N1Cc2c(nc(nc2N[C@H](C)c2ccc(C)cc2)N2CCN(CC2)C(C)=O)C1=O |r| Show InChI InChI=1S/C24H32N6O2/c1-15(2)30-14-20-21(23(30)32)26-24(29-12-10-28(11-13-29)18(5)31)27-22(20)25-17(4)19-8-6-16(3)7-9-19/h6-9,15,17H,10-14H2,1-5H3,(H,25,26,27)/t17-/m1/s1 | PDB
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PubMed
| n/a | n/a | 613 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379721
(CHEMBL2010929)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCNCC2)C1=O Show InChI InChI=1S/C26H30N6O/c1-18(2)32-17-21-23(25(32)33)29-26(31-15-13-27-14-16-31)30-24(21)28-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22,27H,13-17H2,1-2H3,(H,28,29,30) | PDB
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| n/a | n/a | 618 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379735
(CHEMBL2011114)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(cc2)C(F)(F)F)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H27F3N6O2/c1-14(2)32-13-18-19(21(32)34)28-22(31-10-8-30(9-11-31)15(3)33)29-20(18)27-12-16-4-6-17(7-5-16)23(24,25)26/h4-7,14H,8-13H2,1-3H3,(H,27,28,29) | PDB
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PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379731
(CHEMBL2011108)Show SMILES CC(C)N1Cc2c(nc(nc2NCCc2ccc(C)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C24H32N6O2/c1-16(2)30-15-20-21(23(30)32)26-24(29-13-11-28(12-14-29)18(4)31)27-22(20)25-10-9-19-7-5-17(3)6-8-19/h5-8,16H,9-15H2,1-4H3,(H,25,26,27) | PDB
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Similars
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PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379720
(CHEMBL2010928)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCOCC2)C1=O Show InChI InChI=1S/C26H29N5O2/c1-18(2)31-17-21-23(25(31)32)28-26(30-13-15-33-16-14-30)29-24(21)27-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,27,28,29) | PDB
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PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379730
(CHEMBL2011107)Show SMILES CC(C)N1Cc2c(nc(nc2NCCc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H29ClN6O2/c1-15(2)30-14-19-20(22(30)32)26-23(29-12-10-28(11-13-29)16(3)31)27-21(19)25-9-8-17-4-6-18(24)7-5-17/h4-7,15H,8-14H2,1-3H3,(H,25,26,27) | PDB
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PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379723
(CHEMBL2010932)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(C)CC2)C1=O Show InChI InChI=1S/C27H32N6O/c1-19(2)33-18-22-24(26(33)34)29-27(32-16-14-31(3)15-17-32)30-25(22)28-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,14-18H2,1-3H3,(H,28,29,30) | PDB
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PubMed
| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379733
(CHEMBL2011110)Show SMILES CC(C)N1Cc2c(nc(nc2NCC(C)(C)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-14-20-21(23(32)34)28-24(31-12-10-30(11-13-31)17(3)33)29-22(20)27-15-25(4,5)18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
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| Article
PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379706
(CHEMBL2011115)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H27F3N6O3/c1-14(2)32-13-18-19(21(32)34)28-22(31-10-8-30(9-11-31)15(3)33)29-20(18)27-12-16-4-6-17(7-5-16)35-23(24,25)26/h4-7,14H,8-13H2,1-3H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379705
(CHEMBL2011113)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C22H27ClN6O2/c1-14(2)29-13-18-19(21(29)31)25-22(28-10-8-27(9-11-28)15(3)30)26-20(18)24-12-16-4-6-17(23)7-5-16/h4-7,14H,8-13H2,1-3H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379710
(CHEMBL2011119)Show SMILES COc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C24H32N6O3/c1-15(2)30-14-20-21(23(30)32)26-24(29-12-10-28(11-13-29)17(4)31)27-22(20)25-16(3)18-6-8-19(33-5)9-7-18/h6-9,15-16H,10-14H2,1-5H3,(H,25,26,27)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379710
(CHEMBL2011119)Show SMILES COc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C24H32N6O3/c1-15(2)30-14-20-21(23(30)32)26-24(29-12-10-28(11-13-29)17(4)31)27-22(20)25-16(3)18-6-8-19(33-5)9-7-18/h6-9,15-16H,10-14H2,1-5H3,(H,25,26,27)/t16-/m1/s1 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379705
(CHEMBL2011113)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C22H27ClN6O2/c1-14(2)29-13-18-19(21(29)31)25-22(28-10-8-27(9-11-28)15(3)30)26-20(18)24-12-16-4-6-17(23)7-5-16/h4-7,14H,8-13H2,1-3H3,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379727
(CHEMBL2011104)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC2)C(=O)CN(C)C)C1=O Show InChI InChI=1S/C30H37N7O2/c1-21(2)37-19-24-27(29(37)39)32-30(36-17-15-35(16-18-36)25(38)20-34(3)4)33-28(24)31-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,21,26H,15-20H2,1-4H3,(H,31,32,33) | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379717
(CHEMBL2011126)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-21-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(21)27-14-20-12-18-6-4-5-7-19(18)13-26-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379718
(CHEMBL2011127)Show SMILES CC(C)N1Cc2c(nc(nc2N(C)Cc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C26H31N7O2/c1-17(2)33-16-22-23(25(33)35)28-26(32-11-9-31(10-12-32)18(3)34)29-24(22)30(4)15-21-13-19-7-5-6-8-20(19)14-27-21/h5-8,13-14,17H,9-12,15-16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379719
(CHEMBL2011118)Show SMILES CC(C)N1Cc2c(nc(nc2N[C@H](C)c2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O |r| Show InChI InChI=1S/C24H29F3N6O3/c1-14(2)33-13-19-20(22(33)35)29-23(32-11-9-31(10-12-32)16(4)34)30-21(19)28-15(3)17-5-7-18(8-6-17)36-24(25,26)27/h5-8,14-15H,9-13H2,1-4H3,(H,28,29,30)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379711
(CHEMBL2011120)Show SMILES CCOc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H34N6O3/c1-6-34-20-9-7-19(8-10-20)17(4)26-23-21-15-31(16(2)3)24(33)22(21)27-25(28-23)30-13-11-29(12-14-30)18(5)32/h7-10,16-17H,6,11-15H2,1-5H3,(H,26,27,28)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379714
(CHEMBL2011123)Show SMILES CCOc1ccc(cc1F)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H33FN6O3/c1-6-35-21-8-7-18(13-20(21)26)16(4)27-23-19-14-32(15(2)3)24(34)22(19)28-25(29-23)31-11-9-30(10-12-31)17(5)33/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,27,28,29)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379729
(CHEMBL2011106)Show SMILES CC(C)N1Cc2c(nc(nc2NCCc2ccccc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C23H30N6O2/c1-16(2)29-15-19-20(22(29)31)25-23(28-13-11-27(12-14-28)17(3)30)26-21(19)24-10-9-18-7-5-4-6-8-18/h4-8,16H,9-15H2,1-3H3,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379713
(CHEMBL2011122)Show SMILES CCOc1ccc(cc1)[C@H](Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N6O3/c1-5-37-18-8-6-17(7-9-18)21(25(26,27)28)30-22-19-14-34(15(2)3)23(36)20(19)29-24(31-22)33-12-10-32(11-13-33)16(4)35/h6-9,15,21H,5,10-14H2,1-4H3,(H,29,30,31)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379716
(CHEMBL2011125)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cnc3ccccc3c2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-20-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(20)27-14-18-12-19-6-4-5-7-21(19)26-13-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2C9 |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379728
(CHEMBL2011105)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2ccccc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C22H28N6O2/c1-15(2)28-14-18-19(21(28)30)24-22(27-11-9-26(10-12-27)16(3)29)25-20(18)23-13-17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3,(H,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
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