Found 91 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239559
(CHEMBL4073594)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239550
(CHEMBL4060741)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r| Show InChI InChI=1S/C35H39N7O2S/c1-24-22-45-32-19-29(25(2)41-34-31(20-36)33(37)39-23-40-34)30(35(43)42(24)32)18-27-11-8-12-28(17-27)21-38-14-6-7-15-44-16-13-26-9-4-3-5-10-26/h3-5,8-12,17,19,22-23,25,38H,6-7,13-16,18,21H2,1-2H3,(H3,37,39,40,41)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239552
(CHEMBL4070433)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1 |r| Show InChI InChI=1S/C29H34N8OS/c1-18-16-39-25-13-23(19(2)34-28-24(14-30)27(31)32-17-33-28)26(29(38)37(18)25)21-7-5-6-20(12-21)15-36-10-8-22(9-11-36)35(3)4/h5-7,12-13,16-17,19,22H,8-11,15H2,1-4H3,(H3,31,32,33,34)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239540
(CHEMBL4086230)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C35H40N8OS/c1-24-22-45-31-18-29(25(2)40-34-30(19-36)33(37)38-23-39-34)32(35(44)43(24)31)28-14-10-13-27(17-28)21-42(4)16-9-8-15-41(3)20-26-11-6-5-7-12-26/h5-7,10-14,17-18,22-23,25H,8-9,15-16,20-21H2,1-4H3,(H3,37,38,39,40)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239542
(CHEMBL4069417)Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C28H33N7OS/c1-17(2)13-34(5)14-21-8-6-7-20(9-21)10-23-22(11-25-35(28(23)36)18(3)15-37-25)19(4)33-27-24(12-29)26(30)31-16-32-27/h6-9,11,15-17,19H,10,13-14H2,1-5H3,(H3,30,31,32,33)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239549
(CHEMBL4096646)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r| Show InChI InChI=1S/C26H27N7OS/c1-16-14-35-23-11-20(17(2)31-25-22(12-27)24(28)29-15-30-25)21(26(34)33(16)23)10-18-5-3-6-19(9-18)13-32-7-4-8-32/h3,5-6,9,11,14-15,17H,4,7-8,10,13H2,1-2H3,(H3,28,29,30,31)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239555
(CHEMBL4094000)Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239553
(CHEMBL4083582)Show SMILES CC(C)CN(C)CC1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C33H42N8OS/c1-21(2)16-39(5)17-24-9-11-40(12-10-24)18-25-7-6-8-26(13-25)30-27(14-29-41(33(30)42)22(3)19-43-29)23(4)38-32-28(15-34)31(35)36-20-37-32/h6-8,13-14,19-21,23-24H,9-12,16-18H2,1-5H3,(H3,35,36,37,38)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239557
(CHEMBL4102634)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN(C)Cc2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C34H37ClN8OS/c1-22-20-45-30-16-28(23(2)40-33-29(17-36)32(37)38-21-39-33)31(34(44)43(22)30)26-8-5-7-25(15-26)19-42(4)14-6-13-41(3)18-24-9-11-27(35)12-10-24/h5,7-12,15-16,20-21,23H,6,13-14,18-19H2,1-4H3,(H3,37,38,39,40)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239548
(CHEMBL4080523)Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C26H29N7O2S/c1-16-14-36-23-11-20(17(2)32-25-22(12-27)24(28)30-15-31-25)21(26(34)33(16)23)10-18-5-4-6-19(9-18)13-29-7-8-35-3/h4-6,9,11,14-15,17,29H,7-8,10,13H2,1-3H3,(H3,28,30,31,32)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239560
(CHEMBL4081062)Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239551
(CHEMBL4091365)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C28H32N8O2S/c1-18-16-39-24-13-22(19(2)34-27-23(14-29)26(30)32-17-33-27)25(28(37)36(18)24)21-5-3-4-20(12-21)15-31-6-7-35-8-10-38-11-9-35/h3-5,12-13,16-17,19,31H,6-11,15H2,1-2H3,(H3,30,32,33,34)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239545
(CHEMBL4092688)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r| Show InChI InChI=1S/C23H23N7OS/c1-13-11-32-20-8-17(14(2)29-22-19(10-25)21(26)27-12-28-22)18(23(31)30(13)20)7-15-4-3-5-16(6-15)9-24/h3-6,8,11-12,14H,7,9,24H2,1-2H3,(H3,26,27,28,29)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239561
(CHEMBL4061810)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1 |r| Show InChI InChI=1S/C32H39N9O2S/c1-22-20-44-28-17-26(23(2)37-31-27(18-33)30(34)35-21-36-31)29(32(42)41(22)28)25-5-3-4-24(16-25)19-40-10-8-38(9-11-40)6-7-39-12-14-43-15-13-39/h3-5,16-17,20-21,23H,6-15,19H2,1-2H3,(H3,34,35,36,37)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239543
(CHEMBL4101730)Show SMILES CCN(CCN1CCOCC1)Cc1cccc(c1)-c1c(cc2scc(C)n2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C30H36N8O2S/c1-4-36(8-9-37-10-12-40-13-11-37)17-22-6-5-7-23(14-22)27-24(15-26-38(30(27)39)20(2)18-41-26)21(3)35-29-25(16-31)28(32)33-19-34-29/h5-7,14-15,18-19,21H,4,8-13,17H2,1-3H3,(H3,32,33,34,35)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239547
(CHEMBL4104746)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-22-10-19(16(2)30-24-21(11-26)23(27)28-14-29-24)20(25(33)32(15)22)9-17-6-5-7-18(8-17)12-31(3)4/h5-8,10,13-14,16H,9,12H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239559
(CHEMBL4073594)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239539
(CHEMBL4088952)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)18-7-5-6-17(10-18)8-9-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239546
(CHEMBL4065004)Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C24H25N7OS/c1-14-12-33-21-9-18(15(2)30-23-20(10-25)22(26)28-13-29-23)19(24(32)31(14)21)8-16-5-4-6-17(7-16)11-27-3/h4-7,9,12-13,15,27H,8,11H2,1-3H3,(H3,26,28,29,30)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239556
(CHEMBL4083733)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r| Show InChI InChI=1S/C35H39N9OS/c1-23-21-46-31-16-29(24(2)41-34-30(17-36)33(37)39-22-40-34)32(35(45)44(23)31)27-8-6-7-26(15-27)19-43-13-10-25(11-14-43)18-42(3)20-28-9-4-5-12-38-28/h4-9,12,15-16,21-22,24-25H,10-11,13-14,18-20H2,1-3H3,(H3,37,39,40,41)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239561
(CHEMBL4061810)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1 |r| Show InChI InChI=1S/C32H39N9O2S/c1-22-20-44-28-17-26(23(2)37-31-27(18-33)30(34)35-21-36-31)29(32(42)41(22)28)25-5-3-4-24(16-25)19-40-10-8-38(9-11-40)6-7-39-12-14-43-15-13-39/h3-5,16-17,20-21,23H,6-15,19H2,1-2H3,(H3,34,35,36,37)/t23-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239550
(CHEMBL4060741)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r| Show InChI InChI=1S/C35H39N7O2S/c1-24-22-45-32-19-29(25(2)41-34-31(20-36)33(37)39-23-40-34)30(35(43)42(24)32)18-27-11-8-12-28(17-27)21-38-14-6-7-15-44-16-13-26-9-4-3-5-10-26/h3-5,8-12,17,19,22-23,25,38H,6-7,13-16,18,21H2,1-2H3,(H3,37,39,40,41)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239558
(CHEMBL4078365)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C32H40N8O2S/c1-20-18-43-28-13-26(23(4)37-31-27(14-33)30(34)35-19-36-31)29(32(41)40(20)28)25-9-6-8-24(12-25)17-38(5)10-7-11-39-15-21(2)42-22(3)16-39/h6,8-9,12-13,18-19,21-23H,7,10-11,15-17H2,1-5H3,(H3,34,35,36,37)/t21-,22+,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239543
(CHEMBL4101730)Show SMILES CCN(CCN1CCOCC1)Cc1cccc(c1)-c1c(cc2scc(C)n2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C30H36N8O2S/c1-4-36(8-9-37-10-12-40-13-11-37)17-22-6-5-7-23(14-22)27-24(15-26-38(30(27)39)20(2)18-41-26)21(3)35-29-25(16-31)28(32)33-19-34-29/h5-7,14-15,18-19,21H,4,8-13,17H2,1-3H3,(H3,32,33,34,35)/t21-/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239541
(CHEMBL4064748)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C33H42N8O2S/c1-21-19-44-29-14-27(24(4)38-32-28(15-34)31(35)36-20-37-32)30(33(42)41(21)29)26-10-8-9-25(13-26)18-39(5)11-6-7-12-40-16-22(2)43-23(3)17-40/h8-10,13-14,19-20,22-24H,6-7,11-12,16-18H2,1-5H3,(H3,35,36,37,38)/t22-,23+,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239555
(CHEMBL4094000)Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239544
(CHEMBL4099101)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7O2S/c1-15-13-35-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)17-6-5-7-18(10-17)34-9-8-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239554
(CHEMBL4073335)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r| Show InChI InChI=1S/C31H35F3N8OS/c1-19-17-44-26-14-24(20(2)39-29-25(15-35)28(36)37-18-38-29)27(30(43)42(19)26)22-6-4-5-21(13-22)16-41-10-7-23(8-11-41)40(3)12-9-31(32,33)34/h4-6,13-14,17-18,20,23H,7-12,16H2,1-3H3,(H3,36,37,38,39)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239542
(CHEMBL4069417)Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C28H33N7OS/c1-17(2)13-34(5)14-21-8-6-7-20(9-21)10-23-22(11-25-35(28(23)36)18(3)15-37-25)19(4)33-27-24(12-29)26(30)31-16-32-27/h6-9,11,15-17,19H,10,13-14H2,1-5H3,(H3,30,31,32,33)/t19-/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239560
(CHEMBL4081062)Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239547
(CHEMBL4104746)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-22-10-19(16(2)30-24-21(11-26)23(27)28-14-29-24)20(25(33)32(15)22)9-17-6-5-7-18(8-17)12-31(3)4/h5-8,10,13-14,16H,9,12H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239540
(CHEMBL4086230)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C35H40N8OS/c1-24-22-45-31-18-29(25(2)40-34-30(19-36)33(37)38-23-39-34)32(35(44)43(24)31)28-14-10-13-27(17-28)21-42(4)16-9-8-15-41(3)20-26-11-6-5-7-12-26/h5-7,10-14,17-18,22-23,25H,8-9,15-16,20-21H2,1-4H3,(H3,37,38,39,40)/t25-/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239556
(CHEMBL4083733)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r| Show InChI InChI=1S/C35H39N9OS/c1-23-21-46-31-16-29(24(2)41-34-30(17-36)33(37)39-22-40-34)32(35(45)44(23)31)27-8-6-7-26(15-27)19-43-13-10-25(11-14-43)18-42(3)20-28-9-4-5-12-38-28/h4-9,12,15-16,21-22,24-25H,10-11,13-14,18-20H2,1-3H3,(H3,37,39,40,41)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239553
(CHEMBL4083582)Show SMILES CC(C)CN(C)CC1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C33H42N8OS/c1-21(2)16-39(5)17-24-9-11-40(12-10-24)18-25-7-6-8-26(13-25)30-27(14-29-41(33(30)42)22(3)19-43-29)23(4)38-32-28(15-34)31(35)36-20-37-32/h6-8,13-14,19-21,23-24H,9-12,16-18H2,1-5H3,(H3,35,36,37,38)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239549
(CHEMBL4096646)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r| Show InChI InChI=1S/C26H27N7OS/c1-16-14-35-23-11-20(17(2)31-25-22(12-27)24(28)29-15-30-25)21(26(34)33(16)23)10-18-5-3-6-19(9-18)13-32-7-4-8-32/h3,5-6,9,11,14-15,17H,4,7-8,10,13H2,1-2H3,(H3,28,29,30,31)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239548
(CHEMBL4080523)Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C26H29N7O2S/c1-16-14-36-23-11-20(17(2)32-25-22(12-27)24(28)30-15-31-25)21(26(34)33(16)23)10-18-5-4-6-19(9-18)13-29-7-8-35-3/h4-6,9,11,14-15,17,29H,7-8,10,13H2,1-3H3,(H3,28,30,31,32)/t17-/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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239539
(CHEMBL4088952)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)18-7-5-6-17(10-18)8-9-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239557
(CHEMBL4102634)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN(C)Cc2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C34H37ClN8OS/c1-22-20-45-30-16-28(23(2)40-33-29(17-36)32(37)38-21-39-33)31(34(44)43(22)30)26-8-5-7-25(15-26)19-42(4)14-6-13-41(3)18-24-9-11-27(35)12-10-24/h5,7-12,15-16,20-21,23H,6,13-14,18-19H2,1-4H3,(H3,37,38,39,40)/t23-/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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239558
(CHEMBL4078365)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C32H40N8O2S/c1-20-18-43-28-13-26(23(4)37-31-27(14-33)30(34)35-19-36-31)29(32(41)40(20)28)25-9-6-8-24(12-25)17-38(5)10-7-11-39-15-21(2)42-22(3)16-39/h6,8-9,12-13,18-19,21-23H,7,10-11,15-17H2,1-5H3,(H3,34,35,36,37)/t21-,22+,23-/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239541
(CHEMBL4064748)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C33H42N8O2S/c1-21-19-44-29-14-27(24(4)38-32-28(15-34)31(35)36-20-37-32)30(33(42)41(21)29)26-10-8-9-25(13-26)18-39(5)11-6-7-12-40-16-22(2)43-23(3)17-40/h8-10,13-14,19-20,22-24H,6-7,11-12,16-18H2,1-5H3,(H3,35,36,37,38)/t22-,23+,24-/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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239544
(CHEMBL4099101)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7O2S/c1-15-13-35-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)17-6-5-7-18(10-17)34-9-8-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239545
(CHEMBL4092688)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r| Show InChI InChI=1S/C23H23N7OS/c1-13-11-32-20-8-17(14(2)29-22-19(10-25)21(26)27-12-28-22)18(23(31)30(13)20)7-15-4-3-5-16(6-15)9-24/h3-6,8,11-12,14H,7,9,24H2,1-2H3,(H3,26,27,28,29)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239550
(CHEMBL4060741)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r| Show InChI InChI=1S/C35H39N7O2S/c1-24-22-45-32-19-29(25(2)41-34-31(20-36)33(37)39-23-40-34)30(35(43)42(24)32)18-27-11-8-12-28(17-27)21-38-14-6-7-15-44-16-13-26-9-4-3-5-10-26/h3-5,8-12,17,19,22-23,25,38H,6-7,13-16,18,21H2,1-2H3,(H3,37,39,40,41)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239546
(CHEMBL4065004)Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C24H25N7OS/c1-14-12-33-21-9-18(15(2)30-23-20(10-25)22(26)28-13-29-23)19(24(32)31(14)21)8-16-5-4-6-17(7-16)11-27-3/h4-7,9,12-13,15,27H,8,11H2,1-3H3,(H3,26,28,29,30)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239552
(CHEMBL4070433)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1 |r| Show InChI InChI=1S/C29H34N8OS/c1-18-16-39-25-13-23(19(2)34-28-24(14-30)27(31)32-17-33-28)26(29(38)37(18)25)21-7-5-6-20(12-21)15-36-10-8-22(9-11-36)35(3)4/h5-7,12-13,16-17,19,22H,8-11,15H2,1-4H3,(H3,31,32,33,34)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239554
(CHEMBL4073335)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r| Show InChI InChI=1S/C31H35F3N8OS/c1-19-17-44-26-14-24(20(2)39-29-25(15-35)28(36)37-18-38-29)27(30(43)42(19)26)22-6-4-5-21(13-22)16-41-10-7-23(8-11-41)40(3)12-9-31(32,33)34/h4-6,13-14,17-18,20,23H,7-12,16H2,1-3H3,(H3,36,37,38,39)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239557
(CHEMBL4102634)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN(C)Cc2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C34H37ClN8OS/c1-22-20-45-30-16-28(23(2)40-33-29(17-36)32(37)38-21-39-33)31(34(44)43(22)30)26-8-5-7-25(15-26)19-42(4)14-6-13-41(3)18-24-9-11-27(35)12-10-24/h5,7-12,15-16,20-21,23H,6,13-14,18-19H2,1-4H3,(H3,37,38,39,40)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239551
(CHEMBL4091365)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C28H32N8O2S/c1-18-16-39-24-13-22(19(2)34-27-23(14-29)26(30)32-17-33-27)25(28(37)36(18)24)21-5-3-4-20(12-21)15-31-6-7-35-8-10-38-11-9-35/h3-5,12-13,16-17,19,31H,6-11,15H2,1-2H3,(H3,30,32,33,34)/t19-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239559
(CHEMBL4073594)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239540
(CHEMBL4086230)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C35H40N8OS/c1-24-22-45-31-18-29(25(2)40-34-30(19-36)33(37)38-23-39-34)32(35(44)43(24)31)28-14-10-13-27(17-28)21-42(4)16-9-8-15-41(3)20-26-11-6-5-7-12-26/h5-7,10-14,17-18,22-23,25H,8-9,15-16,20-21H2,1-4H3,(H3,37,38,39,40)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239548
(CHEMBL4080523)Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C26H29N7O2S/c1-16-14-36-23-11-20(17(2)32-25-22(12-27)24(28)30-15-31-25)21(26(34)33(16)23)10-18-5-4-6-19(9-18)13-29-7-8-35-3/h4-6,9,11,14-15,17,29H,7-8,10,13H2,1-3H3,(H3,28,30,31,32)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239551
(CHEMBL4091365)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C28H32N8O2S/c1-18-16-39-24-13-22(19(2)34-27-23(14-29)26(30)32-17-33-27)25(28(37)36(18)24)21-5-3-4-20(12-21)15-31-6-7-35-8-10-38-11-9-35/h3-5,12-13,16-17,19,31H,6-11,15H2,1-2H3,(H3,30,32,33,34)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239546
(CHEMBL4065004)Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C24H25N7OS/c1-14-12-33-21-9-18(15(2)30-23-20(10-25)22(26)28-13-29-23)19(24(32)31(14)21)8-16-5-4-6-17(7-16)11-27-3/h4-7,9,12-13,15,27H,8,11H2,1-3H3,(H3,26,28,29,30)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239545
(CHEMBL4092688)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r| Show InChI InChI=1S/C23H23N7OS/c1-13-11-32-20-8-17(14(2)29-22-19(10-25)21(26)27-12-28-22)18(23(31)30(13)20)7-15-4-3-5-16(6-15)9-24/h3-6,8,11-12,14H,7,9,24H2,1-2H3,(H3,26,27,28,29)/t14-/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239549
(CHEMBL4096646)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r| Show InChI InChI=1S/C26H27N7OS/c1-16-14-35-23-11-20(17(2)31-25-22(12-27)24(28)29-15-30-25)21(26(34)33(16)23)10-18-5-3-6-19(9-18)13-32-7-4-8-32/h3,5-6,9,11,14-15,17H,4,7-8,10,13H2,1-2H3,(H3,28,29,30,31)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239559
(CHEMBL4073594)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239553
(CHEMBL4083582)Show SMILES CC(C)CN(C)CC1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C33H42N8OS/c1-21(2)16-39(5)17-24-9-11-40(12-10-24)18-25-7-6-8-26(13-25)30-27(14-29-41(33(30)42)22(3)19-43-29)23(4)38-32-28(15-34)31(35)36-20-37-32/h6-8,13-14,19-21,23-24H,9-12,16-18H2,1-5H3,(H3,35,36,37,38)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239539
(CHEMBL4088952)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)18-7-5-6-17(10-18)8-9-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239556
(CHEMBL4083733)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r| Show InChI InChI=1S/C35H39N9OS/c1-23-21-46-31-16-29(24(2)41-34-30(17-36)33(37)39-22-40-34)32(35(45)44(23)31)27-8-6-7-26(15-27)19-43-13-10-25(11-14-43)18-42(3)20-28-9-4-5-12-38-28/h4-9,12,15-16,21-22,24-25H,10-11,13-14,18-20H2,1-3H3,(H3,37,39,40,41)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239552
(CHEMBL4070433)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1 |r| Show InChI InChI=1S/C29H34N8OS/c1-18-16-39-25-13-23(19(2)34-28-24(14-30)27(31)32-17-33-28)26(29(38)37(18)25)21-7-5-6-20(12-21)15-36-10-8-22(9-11-36)35(3)4/h5-7,12-13,16-17,19,22H,8-11,15H2,1-4H3,(H3,31,32,33,34)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239547
(CHEMBL4104746)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-22-10-19(16(2)30-24-21(11-26)23(27)28-14-29-24)20(25(33)32(15)22)9-17-6-5-7-18(8-17)12-31(3)4/h5-8,10,13-14,16H,9,12H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239555
(CHEMBL4094000)Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239541
(CHEMBL4064748)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C33H42N8O2S/c1-21-19-44-29-14-27(24(4)38-32-28(15-34)31(35)36-20-37-32)30(33(42)41(21)29)26-10-8-9-25(13-26)18-39(5)11-6-7-12-40-16-22(2)43-23(3)17-40/h8-10,13-14,19-20,22-24H,6-7,11-12,16-18H2,1-5H3,(H3,35,36,37,38)/t22-,23+,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239542
(CHEMBL4069417)Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C28H33N7OS/c1-17(2)13-34(5)14-21-8-6-7-20(9-21)10-23-22(11-25-35(28(23)36)18(3)15-37-25)19(4)33-27-24(12-29)26(30)31-16-32-27/h6-9,11,15-17,19H,10,13-14H2,1-5H3,(H3,30,31,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239561
(CHEMBL4061810)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1 |r| Show InChI InChI=1S/C32H39N9O2S/c1-22-20-44-28-17-26(23(2)37-31-27(18-33)30(34)35-21-36-31)29(32(42)41(22)28)25-5-3-4-24(16-25)19-40-10-8-38(9-11-40)6-7-39-12-14-43-15-13-39/h3-5,16-17,20-21,23H,6-15,19H2,1-2H3,(H3,34,35,36,37)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239558
(CHEMBL4078365)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C32H40N8O2S/c1-20-18-43-28-13-26(23(4)37-31-27(14-33)30(34)35-19-36-31)29(32(41)40(20)28)25-9-6-8-24(12-25)17-38(5)10-7-11-39-15-21(2)42-22(3)16-39/h6,8-9,12-13,18-19,21-23H,7,10-11,15-17H2,1-5H3,(H3,34,35,36,37)/t21-,22+,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239544
(CHEMBL4099101)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7O2S/c1-15-13-35-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)17-6-5-7-18(10-17)34-9-8-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239545
(CHEMBL4092688)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r| Show InChI InChI=1S/C23H23N7OS/c1-13-11-32-20-8-17(14(2)29-22-19(10-25)21(26)27-12-28-22)18(23(31)30(13)20)7-15-4-3-5-16(6-15)9-24/h3-6,8,11-12,14H,7,9,24H2,1-2H3,(H3,26,27,28,29)/t14-/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239543
(CHEMBL4101730)Show SMILES CCN(CCN1CCOCC1)Cc1cccc(c1)-c1c(cc2scc(C)n2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C30H36N8O2S/c1-4-36(8-9-37-10-12-40-13-11-37)17-22-6-5-7-23(14-22)27-24(15-26-38(30(27)39)20(2)18-41-26)21(3)35-29-25(16-31)28(32)33-19-34-29/h5-7,14-15,18-19,21H,4,8-13,17H2,1-3H3,(H3,32,33,34,35)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239560
(CHEMBL4081062)Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239554
(CHEMBL4073335)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r| Show InChI InChI=1S/C31H35F3N8OS/c1-19-17-44-26-14-24(20(2)39-29-25(15-35)28(36)37-18-38-29)27(30(43)42(19)26)22-6-4-5-21(13-22)16-41-10-7-23(8-11-41)40(3)12-9-31(32,33)34/h4-6,13-14,17-18,20,23H,7-12,16H2,1-3H3,(H3,36,37,38,39)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239544
(CHEMBL4099101)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7O2S/c1-15-13-35-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)17-6-5-7-18(10-17)34-9-8-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239550
(CHEMBL4060741)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r| Show InChI InChI=1S/C35H39N7O2S/c1-24-22-45-32-19-29(25(2)41-34-31(20-36)33(37)39-23-40-34)30(35(43)42(24)32)18-27-11-8-12-28(17-27)21-38-14-6-7-15-44-16-13-26-9-4-3-5-10-26/h3-5,8-12,17,19,22-23,25,38H,6-7,13-16,18,21H2,1-2H3,(H3,37,39,40,41)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239548
(CHEMBL4080523)Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C26H29N7O2S/c1-16-14-36-23-11-20(17(2)32-25-22(12-27)24(28)30-15-31-25)21(26(34)33(16)23)10-18-5-4-6-19(9-18)13-29-7-8-35-3/h4-6,9,11,14-15,17,29H,7-8,10,13H2,1-3H3,(H3,28,30,31,32)/t17-/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 | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50239560
(CHEMBL4081062)Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239550
(CHEMBL4060741)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r| Show InChI InChI=1S/C35H39N7O2S/c1-24-22-45-32-19-29(25(2)41-34-31(20-36)33(37)39-23-40-34)30(35(43)42(24)32)18-27-11-8-12-28(17-27)21-38-14-6-7-15-44-16-13-26-9-4-3-5-10-26/h3-5,8-12,17,19,22-23,25,38H,6-7,13-16,18,21H2,1-2H3,(H3,37,39,40,41)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239549
(CHEMBL4096646)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r| Show InChI InChI=1S/C26H27N7OS/c1-16-14-35-23-11-20(17(2)31-25-22(12-27)24(28)29-15-30-25)21(26(34)33(16)23)10-18-5-3-6-19(9-18)13-32-7-4-8-32/h3,5-6,9,11,14-15,17H,4,7-8,10,13H2,1-2H3,(H3,28,29,30,31)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239546
(CHEMBL4065004)Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C24H25N7OS/c1-14-12-33-21-9-18(15(2)30-23-20(10-25)22(26)28-13-29-23)19(24(32)31(14)21)8-16-5-4-6-17(7-16)11-27-3/h4-7,9,12-13,15,27H,8,11H2,1-3H3,(H3,26,28,29,30)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239547
(CHEMBL4104746)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-22-10-19(16(2)30-24-21(11-26)23(27)28-14-29-24)20(25(33)32(15)22)9-17-6-5-7-18(8-17)12-31(3)4/h5-8,10,13-14,16H,9,12H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239559
(CHEMBL4073594)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239542
(CHEMBL4069417)Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C28H33N7OS/c1-17(2)13-34(5)14-21-8-6-7-20(9-21)10-23-22(11-25-35(28(23)36)18(3)15-37-25)19(4)33-27-24(12-29)26(30)31-16-32-27/h6-9,11,15-17,19H,10,13-14H2,1-5H3,(H3,30,31,32,33)/t19-/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 | <794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239560
(CHEMBL4081062)Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50239539
(CHEMBL4088952)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)18-7-5-6-17(10-18)8-9-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/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 | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239539
(CHEMBL4088952)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)18-7-5-6-17(10-18)8-9-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239548
(CHEMBL4080523)Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C26H29N7O2S/c1-16-14-36-23-11-20(17(2)32-25-22(12-27)24(28)30-15-31-25)21(26(34)33(16)23)10-18-5-4-6-19(9-18)13-29-7-8-35-3/h4-6,9,11,14-15,17,29H,7-8,10,13H2,1-3H3,(H3,28,30,31,32)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239545
(CHEMBL4092688)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r| Show InChI InChI=1S/C23H23N7OS/c1-13-11-32-20-8-17(14(2)29-22-19(10-25)21(26)27-12-28-22)18(23(31)30(13)20)7-15-4-3-5-16(6-15)9-24/h3-6,8,11-12,14H,7,9,24H2,1-2H3,(H3,26,27,28,29)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239546
(CHEMBL4065004)Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C24H25N7OS/c1-14-12-33-21-9-18(15(2)30-23-20(10-25)22(26)28-13-29-23)19(24(32)31(14)21)8-16-5-4-6-17(7-16)11-27-3/h4-7,9,12-13,15,27H,8,11H2,1-3H3,(H3,26,28,29,30)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239549
(CHEMBL4096646)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r| Show InChI InChI=1S/C26H27N7OS/c1-16-14-35-23-11-20(17(2)31-25-22(12-27)24(28)29-15-30-25)21(26(34)33(16)23)10-18-5-3-6-19(9-18)13-32-7-4-8-32/h3,5-6,9,11,14-15,17H,4,7-8,10,13H2,1-2H3,(H3,28,29,30,31)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239542
(CHEMBL4069417)Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C28H33N7OS/c1-17(2)13-34(5)14-21-8-6-7-20(9-21)10-23-22(11-25-35(28(23)36)18(3)15-37-25)19(4)33-27-24(12-29)26(30)31-16-32-27/h6-9,11,15-17,19H,10,13-14H2,1-5H3,(H3,30,31,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239547
(CHEMBL4104746)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-13-34-22-10-19(16(2)30-24-21(11-26)23(27)28-14-29-24)20(25(33)32(15)22)9-17-6-5-7-18(8-17)12-31(3)4/h5-8,10,13-14,16H,9,12H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50239544
(CHEMBL4099101)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r| Show InChI InChI=1S/C25H27N7O2S/c1-15-13-35-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)17-6-5-7-18(10-17)34-9-8-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
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Ligand-Target Pair | |
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