Found 26 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 |
|---|
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50373326
(CHEMBL444278)Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
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Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409757
(CHEMBL2112864)Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
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MCE
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409764
(CHEMBL2112867)Show SMILES CNc1nc(C)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2/c1-7-17-12(15-2)11-13(18-7)19(6-16-11)9-3-10(27-29(23,24)25)14(4-8(9)14)5-26-28(20,21)22/h6,8-10H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t8-,9+,10+,14+/m1/s1 | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134963
(CHEMBL146342 | Phosphoric acid mono-[(1R,5S)-4-(2-...)Show SMILES CNc1nc(Br)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18BrN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7?,8?,13+/m1/s1 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134966
(CHEMBL343651 | Phosphoric acid mono-[(1R,5S)-4-(6-...)Show SMILES Nc1nc(I)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C12H16IN5O8P2/c13-11-16-9(14)8-10(17-11)18(4-15-8)6-1-7(26-28(22,23)24)12(2-5(6)12)3-25-27(19,20)21/h4-7H,1-3H2,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t5-,6?,7?,12+/m1/s1 | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409761
(CHEMBL2112863)Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H19N5O8P2/c1-14-11-10-12(16-5-15-11)18(6-17-10)8-2-9(26-28(22,23)24)13(3-7(8)13)4-25-27(19,20)21/h5-9H,2-4H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)/t7-,8+,9+,13+/m1/s1 | PDB
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| 17.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134967
(CHEMBL356041 | Phosphoric acid mono-[(1R,5S)-4-(6-...)Show SMILES CNc1nc([Se]C)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2Se/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8?,9?,14+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409759
(CHEMBL2112868)Show SMILES CNc1nc(F)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18FN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409758
(CHEMBL2112869)Show SMILES CCCCCCc1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H31N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h11-14H,3-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409762
(CHEMBL2112865)Show SMILES CNc1nc(SC)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2S/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8+,9+,14+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409756
(CHEMBL2112866)Show SMILES CCCC\C=C\c1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H29N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/b7-6+/t12-,13+,14+,19+/m1/s1 | PDB
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PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409763
(CHEMBL2112007)Show SMILES CCCC\C=C/c1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H29N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/b7-6-/t12-,13+,14+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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Similars
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PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409760
(CHEMBL2112861)Show SMILES CSc1nc(N)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C13H19N5O8P2S/c1-29-12-16-10(14)9-11(17-12)18(5-15-9)7-2-8(26-28(22,23)24)13(3-6(7)13)4-25-27(19,20)21/h5-8H,2-4H2,1H3,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t6-,7+,8+,13+/m1/s1 | PDB
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| 863 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50373326
(CHEMBL444278)Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
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| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134963
(CHEMBL146342 | Phosphoric acid mono-[(1R,5S)-4-(2-...)Show SMILES CNc1nc(Br)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18BrN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7?,8?,13+/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409764
(CHEMBL2112867)Show SMILES CNc1nc(C)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2/c1-7-17-12(15-2)11-13(18-7)19(6-16-11)9-3-10(27-29(23,24)25)14(4-8(9)14)5-26-28(20,21)22/h6,8-10H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t8-,9+,10+,14+/m1/s1 | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409757
(CHEMBL2112864)Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134966
(CHEMBL343651 | Phosphoric acid mono-[(1R,5S)-4-(6-...)Show SMILES Nc1nc(I)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C12H16IN5O8P2/c13-11-16-9(14)8-10(17-11)18(4-15-8)6-1-7(26-28(22,23)24)12(2-5(6)12)3-25-27(19,20)21/h4-7H,1-3H2,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t5-,6?,7?,12+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409761
(CHEMBL2112863)Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H19N5O8P2/c1-14-11-10-12(16-5-15-11)18(6-17-10)8-2-9(26-28(22,23)24)13(3-7(8)13)4-25-27(19,20)21/h5-9H,2-4H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)/t7-,8+,9+,13+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409762
(CHEMBL2112865)Show SMILES CNc1nc(SC)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2S/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8+,9+,14+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409759
(CHEMBL2112868)Show SMILES CNc1nc(F)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18FN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409760
(CHEMBL2112861)Show SMILES CSc1nc(N)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C13H19N5O8P2S/c1-29-12-16-10(14)9-11(17-12)18(5-15-9)7-2-8(26-28(22,23)24)13(3-6(7)13)4-25-27(19,20)21/h5-8H,2-4H2,1H3,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t6-,7+,8+,13+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134967
(CHEMBL356041 | Phosphoric acid mono-[(1R,5S)-4-(6-...)Show SMILES CNc1nc([Se]C)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2Se/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8?,9?,14+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409758
(CHEMBL2112869)Show SMILES CCCCCCc1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H31N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h11-14H,3-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 452 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409756
(CHEMBL2112866)Show SMILES CCCC\C=C\c1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H29N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/b7-6+/t12-,13+,14+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409763
(CHEMBL2112007)Show SMILES CCCC\C=C/c1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H29N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/b7-6-/t12-,13+,14+,19+/m1/s1 | PDB
UniProtKB/SwissProt
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 |
NIDDK
Curated by ChEMBL
| Assay Description
Antagonistic activity against P2Y purinoceptor 1 |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
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