Found 115 hits with Last Name = 'andersen' and Initial = 'sm' 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)) | BDBM50439278
(CHEMBL2419487)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-14(2)6-8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439274
(CHEMBL2419493)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C24H28N4O5S/c1-4-33-24(30)21-13-20(14-25)22(26-17(21)3)28-11-9-19(10-12-28)23(29)27-34(31,32)15-18-7-5-16(2)6-8-18/h5-8,13,19H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395803
(CHEMBL2165175)Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395821
(CHEMBL2165191)Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439280
(CHEMBL2419485)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439272
(CHEMBL2419495)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 11 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439279
(CHEMBL2419486)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439276
(CHEMBL2419491)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O5S/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-10-8-17(9-11-28)22(29)27-34(31,32)14-16-4-6-19(24)7-5-16/h4-7,12,17H,3,8-11,14H2,1-2H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439272
(CHEMBL2419495)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439281
(CHEMBL2419501)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439278
(CHEMBL2419487)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-14(2)6-8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | 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 (unknown origin) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439279
(CHEMBL2419486)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | 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 (unknown origin) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439280
(CHEMBL2419485)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4O5S/c1-3-31-21(28)18-8-15(9-23)19(24-13(18)2)26-10-16(11-26)20(27)25-32(29,30)12-14-4-6-17(22)7-5-14/h4-8,16H,3,10-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439274
(CHEMBL2419493)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C24H28N4O5S/c1-4-33-24(30)21-13-20(14-25)22(26-17(21)3)28-11-9-19(10-12-28)23(29)27-34(31,32)15-18-7-5-16(2)6-8-18/h5-8,13,19H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439277
(CHEMBL2419490)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439275
(CHEMBL2419492)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O6S/c1-4-34-24(30)21-13-19(14-25)22(26-16(21)2)28-11-9-18(10-12-28)23(29)27-35(31,32)15-17-5-7-20(33-3)8-6-17/h5-8,13,18H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439282
(CHEMBL2419484)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(C)c1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-6-14(2)8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439281
(CHEMBL2419501)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26) | 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
Antagonist activity at P2Y12 receptor (unknown origin) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395820
(CHEMBL2165192)Show SMILES CC1CN(CCO1)c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C20H22N4O2/c1-14-13-24(9-10-26-14)18-11-19(25)23-20(22-18)21-12-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11,14H,9-10,12-13H2,1H3,(H2,21,22,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395802
(CHEMBL2165189)Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439276
(CHEMBL2419491)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O5S/c1-3-33-23(30)20-12-18(13-25)21(26-15(20)2)28-10-8-17(9-11-28)22(29)27-34(31,32)14-16-4-6-19(24)7-5-16/h4-7,12,17H,3,8-11,14H2,1-2H3,(H,27,29) | 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 (unknown origin) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439268
(CHEMBL2419499)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26) | 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 human P2Y12 receptor assessed as inhibition of fibrinogen-induced platelet aggregation by washed platelet assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439268
(CHEMBL2419499)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26) | 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
Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439275
(CHEMBL2419492)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O6S/c1-4-34-24(30)21-13-19(14-25)22(26-16(21)2)28-11-9-18(10-12-28)23(29)27-35(31,32)15-17-5-7-20(33-3)8-6-17/h5-8,13,18H,4,9-12,15H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439282
(CHEMBL2419484)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(C)c1 Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-7-5-6-14(2)8-16/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439286
(CHEMBL2419482)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-8-6-5-7-14(16)2/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | 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
Antagonist activity at human P2Y12 receptor assessed as inhibition of fibrinogen-induced platelet aggregation by washed platelet assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439268
(CHEMBL2419499)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H21ClN4O5S2/c1-3-30-20(27)15-10-14(11-22)18(23-12(15)2)25-8-6-13(7-9-25)19(26)24-32(28,29)17-5-4-16(21)31-17/h4-5,10,13H,3,6-9H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at P2Y12 receptor (unknown origin) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439287
(CHEMBL2419481)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)CC1CCCCC1 Show InChI InChI=1S/C21H28N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h9,15,17H,3-8,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395813
(CHEMBL2165180)Show SMILES OCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C21H24N4O3/c26-11-8-25(15-17-6-3-5-16-4-1-2-7-18(16)17)20-14-19(22-21(27)23-20)24-9-12-28-13-10-24/h1-7,14,26H,8-13,15H2,(H,22,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439270
(CHEMBL2419497)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395812
(CHEMBL2165181)Show SMILES OCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H26N4O3/c27-12-4-9-26(16-18-7-3-6-17-5-1-2-8-19(17)18)21-15-20(23-22(28)24-21)25-10-13-29-14-11-25/h1-3,5-8,15,27H,4,9-14,16H2,(H,23,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439285
(CHEMBL2419483)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N4O5S/c1-3-34-21(31)18-8-15(9-26)19(27-13(18)2)29-10-16(11-29)20(30)28-35(32,33)12-14-5-4-6-17(7-14)22(23,24)25/h4-8,16H,3,10-12H2,1-2H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439283
(CHEMBL2419489)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H24N4O5S/c1-3-31-22(28)19-13-17(14-23)20(24-15(19)2)26-11-9-16(10-12-26)21(27)25-32(29,30)18-7-5-4-6-8-18/h4-8,13,16H,3,9-12H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439269
(CHEMBL2419498)Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O5S2/c1-2-28-18(25)12-9-13(19)16(21-10-12)23-7-5-11(6-8-23)17(24)22-30(26,27)15-4-3-14(20)29-15/h3-4,9-11H,2,5-8H2,1H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395815
(CHEMBL2165178)Show SMILES CCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C21H24N4O2/c1-2-24(15-17-8-5-7-16-6-3-4-9-18(16)17)19-14-20(23-21(26)22-19)25-10-12-27-13-11-25/h3-9,14H,2,10-13,15H2,1H3,(H,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395810
(CHEMBL2165183)Show SMILES CC(O)CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H26N4O3/c1-16(27)14-26(15-18-7-4-6-17-5-2-3-8-19(17)18)21-13-20(23-22(28)24-21)25-9-11-29-12-10-25/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439273
(CHEMBL2419494)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccc(cc1)C(C)C Show InChI InChI=1S/C26H32N4O5S/c1-5-35-26(32)23-14-22(15-27)24(28-18(23)4)30-12-10-21(11-13-30)25(31)29-36(33,34)16-19-6-8-20(9-7-19)17(2)3/h6-9,14,17,21H,5,10-13,16H2,1-4H3,(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50395802
(CHEMBL2165189)Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110delta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439286
(CHEMBL2419482)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccccc1C Show InChI InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-9-17(10-23)20(24-15(19)3)26-11-18(12-26)21(27)25-32(29,30)13-16-8-6-5-7-14(16)2/h5-9,18H,4,11-13H2,1-3H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439287
(CHEMBL2419481)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)CC1CCCCC1 Show InChI InChI=1S/C21H28N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h9,15,17H,3-8,11-13H2,1-2H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | 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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395802
(CHEMBL2165189)Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110beta-mediated AKT phosphorylation at Ser473 in MDA-MB-468 cells after 2 hrs by fluorescence microplate cytometric analys... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439288
(CHEMBL2419500)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H20N4O5S/c1-3-29-20(26)17-9-14(10-21)18(22-13(17)2)24-11-15(12-24)19(25)23-30(27,28)16-7-5-4-6-8-16/h4-9,15H,3,11-12H2,1-2H3,(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439269
(CHEMBL2419498)Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O5S2/c1-2-28-18(25)12-9-13(19)16(21-10-12)23-7-5-11(6-8-23)17(24)22-30(26,27)15-4-3-14(20)29-15/h3-4,9-11H,2,5-8H2,1H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395811
(CHEMBL2165182)Show SMILES OCCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C23H28N4O3/c28-13-4-3-10-27(17-19-8-5-7-18-6-1-2-9-20(18)19)22-16-21(24-23(29)25-22)26-11-14-30-15-12-26/h1-2,5-9,16,28H,3-4,10-15,17H2,(H,24,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439289
(CHEMBL2419480)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C22H24N4O5S/c1-3-31-22(28)19-11-17(12-23)20(24-15(19)2)26-13-18(14-26)21(27)25-32(29,30)10-9-16-7-5-4-6-8-16/h4-8,11,18H,3,9-10,13-14H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395809
(CHEMBL2165184)Show SMILES CCC(O)CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C23H28N4O3/c1-2-19(28)16-27(15-18-8-5-7-17-6-3-4-9-20(17)18)22-14-21(24-23(29)25-22)26-10-12-30-13-11-26/h3-9,14,19,28H,2,10-13,15-16H2,1H3,(H,24,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50439284
(CHEMBL2419488)Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(CO)cc1 Show InChI InChI=1S/C22H24N4O6S/c1-3-32-22(29)19-8-17(9-23)20(24-14(19)2)26-10-18(11-26)21(28)25-33(30,31)13-16-6-4-15(12-27)5-7-16/h4-8,18,27H,3,10-13H2,1-2H3,(H,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 | 230 | 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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis |
J Med Chem 56: 7015-24 (2013)
Article DOI: 10.1021/jm400820m
BindingDB Entry DOI: 10.7270/Q29K4CNV |
More data for this
Ligand-Target Pair | |
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