Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50038843 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 12
(Homo sapiens (Human)) | BDBM50268964
(CHEMBL502519 | Sodium 1-Amino-4-[4-phenylamino-3-c...)Show SMILES Nc1c(cc(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O Show InChI InChI=1S/C27H19N3O7S/c28-24-18(27(33)34)13-20(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)30-15-10-11-19(21(12-15)38(35,36)37)29-14-6-2-1-3-7-14/h1-13,29-30H,28H2,(H,33,34)(H,35,36,37)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268877
(CHEMBL455536 | Disodium 1-Amino-4-[4-phenylamino-3...)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)cc1S([O-])(=O)=O Show InChI InChI=1S/C26H19N3O8S2/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37)/p-2 | PDB
Reactome pathway
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268965
(CHEMBL499428 | Disodium 1-amino-4-[4-([1,3]diazine...)Show SMILES Nc1c(cc(Nc2ccc(Nc3ncccn3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H17N5O8S2/c25-21-18(39(35,36)37)11-16(19-20(21)23(31)14-5-2-1-4-13(14)22(19)30)28-12-6-7-15(17(10-12)38(32,33)34)29-24-26-8-3-9-27-24/h1-11,28H,25H2,(H,26,27,29)(H,32,33,34)(H,35,36,37)/p-2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268917
(CHEMBL446904 | Disodium 1-Amino-4-[4-phenoxy-3-sul...)Show SMILES Nc1c(cc(Nc2ccc(Oc3ccccc3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C26H18N2O9S2/c27-24-21(39(34,35)36)13-18(22-23(24)26(30)17-9-5-4-8-16(17)25(22)29)28-14-10-11-19(20(12-14)38(31,32)33)37-15-6-2-1-3-7-15/h1-13,28H,27H2,(H,31,32,33)(H,34,35,36)/p-2 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268918
(1-Amino-2-methyl-4-[4-phenylamino-3-sulfophenylami...)Show SMILES Cc1cc(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c2c1N Show InChI InChI=1S/C27H21N3O5S/c1-15-13-21(23-24(25(15)28)27(32)19-10-6-5-9-18(19)26(23)31)30-17-11-12-20(22(14-17)36(33,34)35)29-16-7-3-2-4-8-16/h2-14,29-30H,28H2,1H3,(H,33,34,35)/p-1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 541 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268878
(CHEMBL495605 | Sodium 1-Amino-4-(4-benzylphenylami...)Show SMILES Nc1c(cc(Nc2ccc(Cc3ccccc3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C27H20N2O5S/c28-25-22(35(32,33)34)15-21(23-24(25)27(31)20-9-5-4-8-19(20)26(23)30)29-18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h1-13,15,29H,14,28H2,(H,32,33,34)/p-1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 614 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268876
(CHEMBL509572 | Disodium 1-amino-4-[4-(4-chloro-6-m...)Show SMILES COc1nc(Cl)nc(Nc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2S([O-])(=O)=O)n1 Show InChI InChI=1S/C24H17ClN6O9S2/c1-40-24-30-22(25)29-23(31-24)28-13-7-6-10(8-15(13)41(34,35)36)27-14-9-16(42(37,38)39)19(26)18-17(14)20(32)11-4-2-3-5-12(11)21(18)33/h2-9,27H,26H2,1H3,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268916
(CHEMBL496620 | Sodium 1-Amino-4-(4-phenylthiopheny...)Show SMILES Nc1c(cc(Nc2ccc(Sc3ccccc3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C26H18N2O5S2/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-9-5-4-8-18(19)25(22)29)28-15-10-12-17(13-11-15)34-16-6-2-1-3-7-16/h1-14,28H,27H2,(H,31,32,33)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 884 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50227016
(CHEMBL401859 | Sodium 1-amino-4-(4-anilinophenylam...)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)cc2)cc1S([O-])(=O)=O Show InChI InChI=1S/C26H19N3O5S/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15/h1-14,28-29H,27H2,(H,32,33,34)/p-1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268875
(CHEMBL496401 | Sodium 1-amino-4-[4-(4,6-dichloro-[...)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-7-5-10(6-8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-3-1-2-4-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)/p-1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268726
(CHEMBL521709 | Disodium 1-amino-4-(3-amino-4-sulfo...)Show SMILES Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1S([O-])(=O)=O Show InChI InChI=1S/C20H15N3O8S2/c21-12-7-9(5-6-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)/p-2 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268727
(CHEMBL495834 | Disodium 1-amino-4-(4-amino-3-sulfo...)Show SMILES Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1S([O-])(=O)=O Show InChI InChI=1S/C20H15N3O8S2/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)/p-2 | PDB
Reactome pathway
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PC cid
PC sid
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| Article
PubMed
| 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50118218
(CHEMBL131271 | Disodium 1-amino-4-[4-(4,6-dichloro...)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-6-5-9(7-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2 | PDB
Reactome pathway
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Similars
| Article
PubMed
| 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268686
(CHEMBL496022 | sodium 1-amino-9,10-dioxo-4-(4-sulf...)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(cc2)S([O-])(=O)=O)cc1S([O-])(=O)=O Show InChI InChI=1S/C20H14N2O8S2/c21-18-15(32(28,29)30)9-14(22-10-5-7-11(8-6-10)31(25,26)27)16-17(18)20(24)13-4-2-1-3-12(13)19(16)23/h1-9,22H,21H2,(H,25,26,27)(H,28,29,30)/p-2 | PDB
Reactome pathway
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Similars
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PubMed
| 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268874
(CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...)Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50227020
(CHEMBL271672 | sodium 1-amino-4-(3-chlorophenylami...)Show SMILES Nc1c(cc(Nc2cccc(Cl)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H13ClN2O5S/c21-10-4-3-5-11(8-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-6-1-2-7-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
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PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268765
(CHEMBL498038 | sodium 1-amino-4-(3-amino-5-carboxy...)Show SMILES Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc(c1)C(O)=O Show InChI InChI=1S/C21H15N3O7S/c22-10-5-9(21(27)28)6-11(7-10)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)12-3-1-2-4-13(12)20(17)26/h1-8,24H,22-23H2,(H,27,28)(H,29,30,31)/p-1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50227019
(CHEMBL271673 | sodium 1-amino-4-(4-chlorophenylami...)Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1 | PDB
Reactome pathway
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PubMed
| 7.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50227032
(CHEMBL256057 | acid blue 25 | sodium 1-amino-9,10-...)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O Show InChI InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)/p-1 | PDB
Reactome pathway
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PubMed
| 9.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268571
(CHEMBL498223 | Sodium 1-Amino-4-(benzylamino)-9,10...)Show SMILES Nc1c(cc(NCc2ccccc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C21H16N2O5S/c22-19-16(29(26,27)28)10-15(23-11-12-6-2-1-3-7-12)17-18(19)21(25)14-9-5-4-8-13(14)20(17)24/h1-10,23H,11,22H2,(H,26,27,28)/p-1 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268572
(CHEMBL498224 | Sodium 1-amino-4-(2-phenethylamino)...)Show SMILES Nc1c(cc(NCCc2ccccc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C22H18N2O5S/c23-20-17(30(27,28)29)12-16(24-11-10-13-6-2-1-3-7-13)18-19(20)22(26)15-9-5-4-8-14(15)21(18)25/h1-9,12,24H,10-11,23H2,(H,27,28,29)/p-1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268573
(CHEMBL498225 | Sodium 1-amino-4-(3,4-dimethoxy-phe...)Show SMILES COc1ccc(CCNc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1OC Show InChI InChI=1S/C24H22N2O7S/c1-32-17-8-7-13(11-18(17)33-2)9-10-26-16-12-19(34(29,30)31)22(25)21-20(16)23(27)14-5-3-4-6-15(14)24(21)28/h3-8,11-12,26H,9-10,25H2,1-2H3,(H,29,30,31)/p-1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268574
(CHEMBL498423 | Sodium 1-Amino-4-(1-naphthylamino)-...)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S([O-])(=O)=O Show InChI InChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27/h1-12,26H,25H2,(H,29,30,31)/p-1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268635
(CHEMBL450832 | sodium 1-amino-4-(2-aminophenylamin...)Show SMILES Nc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H15N3O5S/c21-12-7-3-4-8-13(12)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)10-5-1-2-6-11(10)20(17)25/h1-9,23H,21-22H2,(H,26,27,28)/p-1 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268636
(1-amino-4-(4-aminophenylamino)-9,10-dioxo-9,10-dih...)Show SMILES Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C20H15N3O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,21-22H2,(H,26,27,28)/p-1 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50227018
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50227015
(CHEMBL271688 | Sodium 1-amino-4-(4-acetylaminophen...)Show SMILES CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)/p-1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50118211
(Acid Blue 129 | CHEMBL133576 | cid_23675739 | sodi...)Show SMILES Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1 Show InChI InChI=1S/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)/p-1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50269014
(CHEMBL496999 | frangulin B)Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O[C@@H]4OC[C@](O)(CO)[C@H]4O)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268687
(CHEMBL522725 | sodium 1-amino-4-(2-hydroxyphenylam...)Show SMILES Nc1c(cc(Nc2ccccc2O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-13(22-12-7-3-4-8-14(12)23)16-17(18)20(25)11-6-2-1-5-10(11)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1 | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268873
(CHEMBL495796 | Sodium 1-amino-4-(3-amino-2,4,6-tri...)Show SMILES Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1N Show InChI InChI=1S/C23H21N3O5S/c1-10-8-11(2)21(12(3)19(10)24)26-15-9-16(32(29,30)31)20(25)18-17(15)22(27)13-6-4-5-7-14(13)23(18)28/h4-9,26H,24-25H2,1-3H3,(H,29,30,31)/p-1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM67690
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM22984
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r| Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50368781
(Achromycin | Cyclopar | Liquamycin | Panmycin | TE...)Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O |r| Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,13?,14?,15-,21+,22-/m0/s1 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50266539
((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...)Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O |r| Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,11?,13?,15-,21-,22-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268725
(CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylam...)Show SMILES Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1 | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268966
(CHEMBL496229 | Sodium 1-Amino-4-[4-([1,3]diazine-2...)Show SMILES Nc1c(cc(Nc2ccc(Nc3ncccn3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H17N5O5S/c25-21-18(35(32,33)34)12-17(19-20(21)23(31)16-5-2-1-4-15(16)22(19)30)28-13-6-8-14(9-7-13)29-24-26-10-3-11-27-24/h1-12,28H,25H2,(H,26,27,29)(H,32,33,34)/p-1 | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50085551
(1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...)Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50333877
(1,8-Dihydroxy-3-methyl-anthraquinone | 1,8-Dihydro...)Show InChI InChI=1S/C15H12O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-19H,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM11318
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50333878
(CHEMBL1172006 | Frangulin A)Show SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50005886
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50269015
(CHEMBL497000 | rhein methylester)Show InChI InChI=1S/C16H10O6/c1-22-16(21)7-5-9-13(11(18)6-7)15(20)12-8(14(9)19)3-2-4-10(12)17/h2-6,17-18H,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50269016
(CHEMBL497001 | aloin)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r| Show InChI InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50060878
(1,3,8-Trihydroxy-6-methyl-10H-anthracen-9-one | CH...)Show InChI InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268768
(CHEMBL522053 | sodium 1-amino-4-(2-carboxy-5-chlor...)Show SMILES Nc1c(cc(Nc2cc(Cl)ccc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C21H13ClN2O7S/c22-9-5-6-12(21(27)28)13(7-9)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1 | PDB
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| 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268767
(CHEMBL524284 | sodium 1-amino-4-(2-carboxy-4-chlor...)Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C21H13ClN2O7S/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1 | PDB
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| 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268766
(CHEMBL498229 | Disodium 1-amino-4-(4-amino-2-sulfo...)Show SMILES Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C20H15N3O8S2/c21-9-5-6-12(14(7-9)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)/p-2 | PDB
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| 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50268685
(CHEMBL524064 | sodium 1-amino-4-(2-carboxyphenylam...)Show SMILES Nc1c(cc(Nc2ccccc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C21H14N2O7S/c22-18-15(31(28,29)30)9-14(23-13-8-4-3-7-12(13)21(26)27)16-17(18)20(25)11-6-2-1-5-10(11)19(16)24/h1-9,23H,22H2,(H,26,27)(H,28,29,30)/p-1 | PDB
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| 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50268965
(CHEMBL499428 | Disodium 1-amino-4-[4-([1,3]diazine...)Show SMILES Nc1c(cc(Nc2ccc(Nc3ncccn3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C24H17N5O8S2/c25-21-18(39(35,36)37)11-16(19-20(21)23(31)14-5-2-1-4-13(14)22(19)30)28-12-6-7-15(17(10-12)38(32,33)34)29-24-26-8-3-9-27-24/h1-11,28H,25H2,(H,26,27,29)(H,32,33,34)(H,35,36,37)/p-2 | PDB
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| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells assessed as ratio of IC50 in presence of GTP to absence of GTP by G... |
J Med Chem 52: 3784-93 (2009)
Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF |
More data for this
Ligand-Target Pair | |
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