Found 427 hits with Last Name = 'boström' and Initial = 'j' 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 |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35870
(5,6-bis-(4-bromo-phenyl)-pyrazine-2-carboxylicacid...)Show SMILES Brc1ccc(cc1)-c1ncc(nc1-c1ccc(Br)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H20Br2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 479-82 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50305984
(5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...)Show SMILES COCc1nc(-c2ccc(Cl)cc2)c(nc1C(=S)NC1CCC(F)(F)CC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2F2N3OS/c1-33-14-20-23(24(34)30-19-10-12-25(28,29)13-11-19)32-22(16-4-8-18(27)9-5-16)21(31-20)15-2-6-17(26)7-3-15/h2-9,19H,10-14H2,1H3,(H,30,34) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 479-82 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50305985
(5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...)Show SMILES COCc1nc(-c2ccc(Cl)cc2)c(nc1C(=O)NC1CCC(F)(F)CC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2F2N3O2/c1-34-14-20-23(24(33)30-19-10-12-25(28,29)13-11-19)32-22(16-4-8-18(27)9-5-16)21(31-20)15-2-6-17(26)7-3-15/h2-9,19H,10-14H2,1H3,(H,30,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 479-82 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35873
(5,6-bis(4-chlorophenyl)-N-(piperidin-1-yl)pyrazine...)Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H20Cl2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50305987
(5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...)Show SMILES FC1(F)CCC(CC1)NC(=S)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F2N3S/c24-16-5-1-14(2-6-16)20-21(15-3-7-17(25)8-4-15)30-19(13-28-20)22(31)29-18-9-11-23(26,27)12-10-18/h1-8,13,18H,9-12H2,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 479-82 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50305988
(5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...)Show SMILES FC1(F)CCC(CC1)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F2N3O/c24-16-5-1-14(2-6-16)20-21(15-3-7-17(25)8-4-15)30-19(13-28-20)22(31)29-18-9-11-23(26,27)12-10-18/h1-8,13,18H,9-12H2,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 479-82 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50305986
(5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...)Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=S)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3S/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 479-82 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35871
(5,6-di-p-tolyl-pyrazine-2-carboxylic acid piperidi...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H26N4O/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436963
(CHEMBL2402255)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H18ClN5O5S2/c1-3-29-17(25)13-6-11(7-20)16(21-10(13)2)24-8-12(9-24)22-18(26)23-31(27,28)15-5-4-14(19)30-15/h4-6,12H,3,8-9H2,1-2H3,(H2,22,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35877
(5,6-bis-(4-methoxy-phenyl)-pyrazine-2-carboxylicac...)Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436963
(CHEMBL2402255)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H18ClN5O5S2/c1-3-29-17(25)13-6-11(7-20)16(21-10(13)2)24-8-12(9-24)22-18(26)23-31(27,28)15-5-4-14(19)30-15/h4-6,12H,3,8-9H2,1-2H3,(H2,22,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35868
(5,6-diaryl-pyrazine-2-amide derivative, 2b | 6-(4-...)Show SMILES Clc1ccc(cc1)-c1nc(cnc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H19Cl3N4O/c23-15-6-4-14(5-7-15)20-21(17-9-8-16(24)12-18(17)25)26-13-19(27-20)22(30)28-29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35875
(5,6-bis-(4-bromo-phenyl)-pyrazine-2-carboxylicacid...)Show SMILES Brc1ccc(cc1)-c1ncc(nc1-c1ccc(Br)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Br2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35876
(5,6-di-p-tolyl-pyrazine-2-carboxylic acid cyclohex...)Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H27N3O/c1-17-8-12-19(13-9-17)23-24(20-14-10-18(2)11-15-20)28-22(16-26-23)25(29)27-21-6-4-3-5-7-21/h8-16,21H,3-7H2,1-2H3,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35878
(5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...)Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16.6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 479-82 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35878
(5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...)Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436962
(CHEMBL2402264)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H20ClN5O5S2/c1-3-30-18(26)14-10-13(11-21)17(22-12(14)2)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(20)31-16/h4-5,10H,3,6-9H2,1-2H3,(H,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436961
(CHEMBL2402266)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O5S/c1-3-32-21(28)19-13-18(14-23)20(24-16(19)2)26-9-11-27(12-10-26)22(29)25-33(30,31)15-17-7-5-4-6-8-17/h4-8,13H,3,9-12,15H2,1-2H3,(H,25,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35872
(5,6-bis(4-methoxyphenyl)-N-(piperidin-1-yl)pyrazin...)Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H26N4O3/c1-30-19-10-6-17(7-11-19)22-23(18-8-12-20(31-2)13-9-18)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436963
(CHEMBL2402255)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H18ClN5O5S2/c1-3-29-17(25)13-6-11(7-20)16(21-10(13)2)24-8-12(9-24)22-18(26)23-31(27,28)15-5-4-14(19)30-15/h4-6,12H,3,8-9H2,1-2H3,(H2,22,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436960
(CHEMBL2402260)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-10-13(11-22)18(23-12(15)2)26-8-6-14(7-9-26)24-20(28)25-33(29,30)17-5-4-16(21)32-17/h4-5,10,14H,3,6-9H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436960
(CHEMBL2402260)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-10-13(11-22)18(23-12(15)2)26-8-6-14(7-9-26)24-20(28)25-33(29,30)17-5-4-16(21)32-17/h4-5,10,14H,3,6-9H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436952
(CHEMBL2402142)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(C(CCC(O)=O)C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C22H21ClF3N5O7S2/c1-2-38-20(34)14-9-12(10-27)19(28-18(14)22(24,25)26)30-7-8-31(13(11-30)3-5-16(32)33)21(35)29-40(36,37)17-6-4-15(23)39-17/h4,6,9,13H,2-3,5,7-8,11H2,1H3,(H,29,35)(H,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436958
(CHEMBL2402144)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(H,24,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436961
(CHEMBL2402266)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O5S/c1-3-32-21(28)19-13-18(14-23)20(24-16(19)2)26-9-11-27(12-10-26)22(29)25-33(30,31)15-17-7-5-4-6-8-17/h4-8,13H,3,9-12,15H2,1-2H3,(H,25,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436962
(CHEMBL2402264)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H20ClN5O5S2/c1-3-30-18(26)14-10-13(11-21)17(22-12(14)2)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(20)31-16/h4-5,10H,3,6-9H2,1-2H3,(H,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436958
(CHEMBL2402144)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(H,24,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436957
(CHEMBL2402244)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H17ClF3N5O5S2/c1-2-33-17(29)12-9-11(10-24)16(25-15(12)19(21,22)23)27-5-7-28(8-6-27)18(30)26-35(31,32)14-4-3-13(20)34-14/h3-4,9H,2,5-8H2,1H3,(H,26,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436957
(CHEMBL2402244)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H17ClF3N5O5S2/c1-2-33-17(29)12-9-11(10-24)16(25-15(12)19(21,22)23)27-5-7-28(8-6-27)18(30)26-35(31,32)14-4-3-13(20)34-14/h3-4,9H,2,5-8H2,1H3,(H,26,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436962
(CHEMBL2402264)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H20ClN5O5S2/c1-3-30-18(26)14-10-13(11-21)17(22-12(14)2)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(20)31-16/h4-5,10H,3,6-9H2,1-2H3,(H,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436961
(CHEMBL2402266)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O5S/c1-3-32-21(28)19-13-18(14-23)20(24-16(19)2)26-9-11-27(12-10-26)22(29)25-33(30,31)15-17-7-5-4-6-8-17/h4-8,13H,3,9-12,15H2,1-2H3,(H,25,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436960
(CHEMBL2402260)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-10-13(11-22)18(23-12(15)2)26-8-6-14(7-9-26)24-20(28)25-33(29,30)17-5-4-16(21)32-17/h4-5,10,14H,3,6-9H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436959
(CHEMBL2402257)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H21N5O5S/c1-3-30-19(26)17-9-14(10-21)18(22-13(17)2)25-11-15(12-25)23-20(27)24-31(28,29)16-7-5-4-6-8-16/h4-9,15H,3,11-12H2,1-2H3,(H2,23,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436958
(CHEMBL2402144)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(H,24,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436934
(CHEMBL2402249)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF3N5O5S/c1-2-35-19(31)16-11-13(12-26)18(27-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)28-36(33,34)15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436953
(CHEMBL2402258)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5O5S/c1-3-31-19(27)17-8-13(9-22)18(23-12(17)2)26-10-15(11-26)24-20(28)25-32(29,30)16-6-4-14(21)5-7-16/h4-8,15H,3,10-11H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436957
(CHEMBL2402244)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H17ClF3N5O5S2/c1-2-33-17(29)12-9-11(10-24)16(25-15(12)19(21,22)23)27-5-7-28(8-6-27)18(30)26-35(31,32)14-4-3-13(20)34-14/h3-4,9H,2,5-8H2,1H3,(H,26,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436949
(CHEMBL2402259)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H23N5O5S/c1-3-31-20(27)18-9-16(10-22)19(23-14(18)2)26-11-17(12-26)24-21(28)25-32(29,30)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM35883
(5,6-bis-(4-chloro-phenyl)-pyrazine-2-carboxylicaci...)Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H15Cl2N3O/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h1-14H,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.4 | 30 |
AstraZeneca
| Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d... |
Bioorg Med Chem 15: 4077-84 (2007)
Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50425106
(CHEMBL2312931)Show SMILES Clc1cc(Cl)cc(c1)-c1ncccc1CNP(=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H19Cl2N2OP/c25-20-14-19(15-21(26)16-20)24-18(8-7-13-27-24)17-28-30(29,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16H,17H2,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay |
Bioorg Med Chem Lett 23: 706-10 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.098 BindingDB Entry DOI: 10.7270/Q2H133BG |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436949
(CHEMBL2402259)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H23N5O5S/c1-3-31-20(27)18-9-16(10-22)19(23-14(18)2)26-11-17(12-26)24-21(28)25-32(29,30)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50345312
(CHEMBL1784198 | Ethyl 5-cyano-6-{4-[(2-naphthylami...)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C25H22F3N5O3/c1-2-36-23(34)20-14-18(15-29)22(31-21(20)25(26,27)28)32-9-11-33(12-10-32)24(35)30-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-14H,2,9-12H2,1H3,(H,30,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 21: 2877-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436953
(CHEMBL2402258)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5O5S/c1-3-31-19(27)17-8-13(9-22)18(23-12(17)2)26-10-15(11-26)24-20(28)25-32(29,30)16-6-4-14(21)5-7-16/h4-8,15H,3,10-11H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436956
(CHEMBL2402263)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H27N5O5S/c1-3-33-22(29)20-13-18(14-24)21(25-16(20)2)28-11-9-19(10-12-28)26-23(30)27-34(31,32)15-17-7-5-4-6-8-17/h4-8,13,19H,3,9-12,15H2,1-2H3,(H2,26,27,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436955
(CHEMBL2402251)Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C17H18Cl2N4O5S2/c1-2-28-16(24)11-9-12(18)15(20-10-11)22-5-7-23(8-6-22)17(25)21-30(26,27)14-4-3-13(19)29-14/h3-4,9-10H,2,5-8H2,1H3,(H,21,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436954
(CHEMBL2402248)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H22F3N5O5S/c1-3-35-20(31)17-12-15(13-26)19(27-18(17)22(23,24)25)29-8-10-30(11-9-29)21(32)28-36(33,34)16-6-4-14(2)5-7-16/h4-7,12H,3,8-11H2,1-2H3,(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436953
(CHEMBL2402258)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5O5S/c1-3-31-19(27)17-8-13(9-22)18(23-12(17)2)26-10-15(11-26)24-20(28)25-32(29,30)16-6-4-14(21)5-7-16/h4-8,15H,3,10-11H2,1-2H3,(H2,24,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50436951
(CHEMBL2402149)Show SMILES CCCCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C19H22Cl2N4O5S2/c1-2-3-10-30-18(26)13-11-14(20)17(22-12-13)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(21)31-16/h4-5,11-12H,2-3,6-10H2,1H3,(H,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis |
Eur J Med Chem 65: 360-75 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2 |
More data for this Ligand-Target Pair | |