Found 90 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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064300
(CHEMBL3403664)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403099
(CHEMBL2216892)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064305
(CHEMBL3403669)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1 Show InChI InChI=1S/C24H22FN7O/c1-14(31-24-18(12-26)23(27)29-13-30-24)21-20(15-5-3-2-4-6-15)22(28-9-10-33)17-11-16(25)7-8-19(17)32-21/h2-8,11,13-14,33H,9-10H2,1H3,(H,28,32)(H3,27,29,30,31) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403099
(CHEMBL2216892)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064306
(CHEMBL3403670)Show SMILES COCCNc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C25H24FN7O/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-34-2)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064300
(CHEMBL3403664)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064301
(CHEMBL3403665)Show SMILES COc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H19FN6O/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(31-2)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064301
(CHEMBL3403665)Show SMILES COc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H19FN6O/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(31-2)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064296
(CHEMBL3403676)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1 |r| Show InChI InChI=1S/C25H23FN8O/c1-15(32-25-18(13-27)24(28)30-14-31-25)22-21(20-4-2-3-7-29-20)23(34-8-10-35-11-9-34)17-12-16(26)5-6-19(17)33-22/h2-7,12,14-15H,8-11H2,1H3,(H3,28,30,31,32)/t15-/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064296
(CHEMBL3403676)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1 |r| Show InChI InChI=1S/C25H23FN8O/c1-15(32-25-18(13-27)24(28)30-14-31-25)22-21(20-4-2-3-7-29-20)23(34-8-10-35-11-9-34)17-12-16(26)5-6-19(17)33-22/h2-7,12,14-15H,8-11H2,1H3,(H3,28,30,31,32)/t15-/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064304
(CHEMBL3403668)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccc1 |r| Show InChI InChI=1S/C23H16FN7/c1-13(30-23-18(11-26)22(27)28-12-29-23)21-20(14-5-3-2-4-6-14)17(10-25)16-9-15(24)7-8-19(16)31-21/h2-9,12-13H,1H3,(H3,27,28,29,30)/t13-/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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064294
(CHEMBL3403674)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1 Show InChI InChI=1S/C23H21FN8/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20/h4-10,12-13H,1-3H3,(H3,26,28,29,30) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064295
(CHEMBL3403675)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064328
(CHEMBL3403671)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCN(C)C)c1-c1ccccc1 |r| Show InChI InChI=1S/C26H27FN8/c1-16(33-26-20(14-28)25(29)31-15-32-26)23-22(17-7-5-4-6-8-17)24(30-11-12-35(2)3)19-13-18(27)9-10-21(19)34-23/h4-10,13,15-16H,11-12H2,1-3H3,(H,30,34)(H3,29,31,32,33)/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064306
(CHEMBL3403670)Show SMILES COCCNc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C25H24FN7O/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-34-2)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064298
(CHEMBL3403678)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1 |r| Show InChI InChI=1S/C26H19FN8/c1-15(34-26-18(13-28)25(29)32-14-33-26)24-23(21-7-3-5-11-31-21)22(20-6-2-4-10-30-20)17-12-16(27)8-9-19(17)35-24/h2-12,14-15H,1H3,(H3,29,32,33,34)/t15-/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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064327
(CHEMBL3403667)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c([S+]([O-])CCO)c1-c1ccccc1 |r| Show InChI InChI=1S/C24H21FN6O2S/c1-14(30-24-18(12-26)23(27)28-13-29-24)21-20(15-5-3-2-4-6-15)22(34(33)10-9-32)17-11-16(25)7-8-19(17)31-21/h2-8,11,13-14,32H,9-10H2,1H3,(H3,27,28,29,30)/t14-,34?/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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064303
(CHEMBL3403666)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(O)c1-c1ccccc1 Show InChI InChI=1S/C22H17FN6O/c1-12(28-22-16(10-24)21(25)26-11-27-22)19-18(13-5-3-2-4-6-13)20(30)15-9-14(23)7-8-17(15)29-19/h2-9,11-12H,1H3,(H,29,30)(H3,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064305
(CHEMBL3403669)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1 Show InChI InChI=1S/C24H22FN7O/c1-14(31-24-18(12-26)23(27)29-13-30-24)21-20(15-5-3-2-4-6-15)22(28-9-10-33)17-11-16(25)7-8-19(17)32-21/h2-8,11,13-14,33H,9-10H2,1H3,(H,28,32)(H3,27,29,30,31) | 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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064307
(CHEMBL3400185)Show SMILES COCc1c(-c2ccccn2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H20FN7O/c1-13(30-23-16(10-25)22(26)28-12-29-23)21-20(19-5-3-4-8-27-19)17(11-32-2)15-9-14(24)6-7-18(15)31-21/h3-9,12-13H,11H2,1-2H3,(H3,26,28,29,30)/t13-/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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064294
(CHEMBL3403674)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1 Show InChI InChI=1S/C23H21FN8/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20/h4-10,12-13H,1-3H3,(H3,26,28,29,30) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064293
(CHEMBL3403673)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-14(9-24)20(25)27-10-28-21)19-17(16-4-2-3-7-26-16)18(22)13-8-12(23)5-6-15(13)30-19/h2-8,10-11H,1H3,(H3,25,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064298
(CHEMBL3403678)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1 |r| Show InChI InChI=1S/C26H19FN8/c1-15(34-26-18(13-28)25(29)32-14-33-26)24-23(21-7-3-5-11-31-21)22(20-6-2-4-10-30-20)17-12-16(27)8-9-19(17)35-24/h2-12,14-15H,1H3,(H3,29,32,33,34)/t15-/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 | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064304
(CHEMBL3403668)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccc1 |r| Show InChI InChI=1S/C23H16FN7/c1-13(30-23-18(11-26)22(27)28-12-29-23)21-20(14-5-3-2-4-6-14)17(10-25)16-9-15(24)7-8-19(16)31-21/h2-9,12-13H,1H3,(H3,27,28,29,30)/t13-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064301
(CHEMBL3403665)Show SMILES COc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H19FN6O/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(31-2)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064297
(CHEMBL3403677)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccn1 Show InChI InChI=1S/C22H15FN8/c1-12(30-22-16(10-25)21(26)28-11-29-22)20-19(18-4-2-3-7-27-18)15(9-24)14-8-13(23)5-6-17(14)31-20/h2-8,11-12H,1H3,(H3,26,28,29,30) | 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 | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064329
(CHEMBL3403672)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2cc1-c1ccccn1 Show InChI InChI=1S/C21H16FN7/c1-12(28-21-16(10-23)20(24)26-11-27-21)19-15(18-4-2-3-7-25-18)9-13-8-14(22)5-6-17(13)29-19/h2-9,11-12H,1H3,(H3,24,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064301
(CHEMBL3403665)Show SMILES COc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H19FN6O/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(31-2)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064293
(CHEMBL3403673)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-14(9-24)20(25)27-10-28-21)19-17(16-4-2-3-7-26-16)18(22)13-8-12(23)5-6-15(13)30-19/h2-8,10-11H,1H3,(H3,25,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064297
(CHEMBL3403677)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccn1 Show InChI InChI=1S/C22H15FN8/c1-12(30-22-16(10-25)21(26)28-11-29-22)20-19(18-4-2-3-7-27-18)15(9-24)14-8-13(23)5-6-17(14)31-20/h2-8,11-12H,1H3,(H3,26,28,29,30) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064306
(CHEMBL3403670)Show SMILES COCCNc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C25H24FN7O/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-34-2)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064299
(CHEMBL3403679)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ncccc2C)c1-c1ccccn1 |r,wD:1.1,(-4.01,-2.77,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.55,;-6.68,-3.09,;-8.01,-3.86,;-9.35,-3.1,;-9.35,-1.56,;-10.42,-.94,;-8.02,-.78,;-8.03,.76,;-8.03,1.99,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-2.65,5.39,;-1.32,6.16,;.02,5.38,;.01,3.84,;1.07,3.22,;-2.68,.77,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,)| Show InChI InChI=1S/C27H21FN8/c1-15-6-5-11-32-24(15)22-18-12-17(28)8-9-20(18)36-25(23(22)21-7-3-4-10-31-21)16(2)35-27-19(13-29)26(30)33-14-34-27/h3-12,14,16H,1-2H3,(H3,30,33,34,35)/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064307
(CHEMBL3400185)Show SMILES COCc1c(-c2ccccn2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H20FN7O/c1-13(30-23-16(10-25)22(26)28-12-29-23)21-20(19-5-3-4-8-27-19)17(11-32-2)15-9-14(24)6-7-18(15)31-21/h3-9,12-13H,11H2,1-2H3,(H3,26,28,29,30)/t13-/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064303
(CHEMBL3403666)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(O)c1-c1ccccc1 Show InChI InChI=1S/C22H17FN6O/c1-12(28-22-16(10-24)21(25)26-11-27-22)19-18(13-5-3-2-4-6-13)20(30)15-9-14(23)7-8-17(15)29-19/h2-9,11-12H,1H3,(H,29,30)(H3,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50064295
(CHEMBL3403675)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50403099
(CHEMBL2216892)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064304
(CHEMBL3403668)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccc1 |r| Show InChI InChI=1S/C23H16FN7/c1-13(30-23-18(11-26)22(27)28-12-29-23)21-20(14-5-3-2-4-6-14)17(10-25)16-9-15(24)7-8-19(16)31-21/h2-9,12-13H,1H3,(H3,27,28,29,30)/t13-/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 | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064296
(CHEMBL3403676)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1 |r| Show InChI InChI=1S/C25H23FN8O/c1-15(32-25-18(13-27)24(28)30-14-31-25)22-21(20-4-2-3-7-29-20)23(34-8-10-35-11-9-34)17-12-16(26)5-6-19(17)33-22/h2-7,12,14-15H,8-11H2,1H3,(H3,28,30,31,32)/t15-/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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064305
(CHEMBL3403669)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1 Show InChI InChI=1S/C24H22FN7O/c1-14(31-24-18(12-26)23(27)29-13-30-24)21-20(15-5-3-2-4-6-15)22(28-9-10-33)17-11-16(25)7-8-19(17)32-21/h2-8,11,13-14,33H,9-10H2,1H3,(H,28,32)(H3,27,29,30,31) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064327
(CHEMBL3403667)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c([S+]([O-])CCO)c1-c1ccccc1 |r| Show InChI InChI=1S/C24H21FN6O2S/c1-14(30-24-18(12-26)23(27)28-13-29-24)21-20(15-5-3-2-4-6-15)22(34(33)10-9-32)17-11-16(25)7-8-19(17)31-21/h2-8,11,13-14,32H,9-10H2,1H3,(H3,27,28,29,30)/t14-,34?/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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064296
(CHEMBL3403676)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1 |r| Show InChI InChI=1S/C25H23FN8O/c1-15(32-25-18(13-27)24(28)30-14-31-25)22-21(20-4-2-3-7-29-20)23(34-8-10-35-11-9-34)17-12-16(26)5-6-19(17)33-22/h2-7,12,14-15H,8-11H2,1H3,(H3,28,30,31,32)/t15-/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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064303
(CHEMBL3403666)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(O)c1-c1ccccc1 Show InChI InChI=1S/C22H17FN6O/c1-12(28-22-16(10-24)21(25)26-11-27-22)19-18(13-5-3-2-4-6-13)20(30)15-9-14(23)7-8-17(15)29-19/h2-9,11-12H,1H3,(H,29,30)(H3,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064300
(CHEMBL3403664)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064293
(CHEMBL3403673)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-14(9-24)20(25)27-10-28-21)19-17(16-4-2-3-7-26-16)18(22)13-8-12(23)5-6-15(13)30-19/h2-8,10-11H,1H3,(H3,25,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064297
(CHEMBL3403677)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccn1 Show InChI InChI=1S/C22H15FN8/c1-12(30-22-16(10-25)21(26)28-11-29-22)20-19(18-4-2-3-7-27-18)15(9-24)14-8-13(23)5-6-17(14)31-20/h2-8,11-12H,1H3,(H3,26,28,29,30) | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064293
(CHEMBL3403673)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-14(9-24)20(25)27-10-28-21)19-17(16-4-2-3-7-26-16)18(22)13-8-12(23)5-6-15(13)30-19/h2-8,10-11H,1H3,(H3,25,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064295
(CHEMBL3403675)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064304
(CHEMBL3403668)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccc1 |r| Show InChI InChI=1S/C23H16FN7/c1-13(30-23-18(11-26)22(27)28-12-29-23)21-20(14-5-3-2-4-6-14)17(10-25)16-9-15(24)7-8-19(16)31-21/h2-9,12-13H,1H3,(H3,27,28,29,30)/t13-/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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064294
(CHEMBL3403674)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1 Show InChI InChI=1S/C23H21FN8/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20/h4-10,12-13H,1-3H3,(H3,26,28,29,30) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064327
(CHEMBL3403667)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c([S+]([O-])CCO)c1-c1ccccc1 |r| Show InChI InChI=1S/C24H21FN6O2S/c1-14(30-24-18(12-26)23(27)28-13-29-24)21-20(15-5-3-2-4-6-15)22(34(33)10-9-32)17-11-16(25)7-8-19(17)31-21/h2-8,11,13-14,32H,9-10H2,1H3,(H3,27,28,29,30)/t14-,34?/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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064306
(CHEMBL3403670)Show SMILES COCCNc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C25H24FN7O/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-34-2)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064301
(CHEMBL3403665)Show SMILES COc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H19FN6O/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(31-2)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064305
(CHEMBL3403669)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1 Show InChI InChI=1S/C24H22FN7O/c1-14(31-24-18(12-26)23(27)29-13-30-24)21-20(15-5-3-2-4-6-15)22(28-9-10-33)17-11-16(25)7-8-19(17)32-21/h2-8,11,13-14,33H,9-10H2,1H3,(H,28,32)(H3,27,29,30,31) | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50403099
(CHEMBL2216892)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064300
(CHEMBL3403664)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064295
(CHEMBL3403675)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064327
(CHEMBL3403667)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c([S+]([O-])CCO)c1-c1ccccc1 |r| Show InChI InChI=1S/C24H21FN6O2S/c1-14(30-24-18(12-26)23(27)28-13-29-24)21-20(15-5-3-2-4-6-15)22(34(33)10-9-32)17-11-16(25)7-8-19(17)31-21/h2-8,11,13-14,32H,9-10H2,1H3,(H3,27,28,29,30)/t14-,34?/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 | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064294
(CHEMBL3403674)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1 Show InChI InChI=1S/C23H21FN8/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20/h4-10,12-13H,1-3H3,(H3,26,28,29,30) | 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 | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064296
(CHEMBL3403676)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1 |r| Show InChI InChI=1S/C25H23FN8O/c1-15(32-25-18(13-27)24(28)30-14-31-25)22-21(20-4-2-3-7-29-20)23(34-8-10-35-11-9-34)17-12-16(26)5-6-19(17)33-22/h2-7,12,14-15H,8-11H2,1H3,(H3,28,30,31,32)/t15-/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 | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064298
(CHEMBL3403678)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1 |r| Show InChI InChI=1S/C26H19FN8/c1-15(34-26-18(13-28)25(29)32-14-33-26)24-23(21-7-3-5-11-31-21)22(20-6-2-4-10-30-20)17-12-16(27)8-9-19(17)35-24/h2-12,14-15H,1H3,(H3,29,32,33,34)/t15-/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 | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50403099
(CHEMBL2216892)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064300
(CHEMBL3403664)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/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 | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064306
(CHEMBL3403670)Show SMILES COCCNc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C25H24FN7O/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-34-2)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/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 | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064329
(CHEMBL3403672)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2cc1-c1ccccn1 Show InChI InChI=1S/C21H16FN7/c1-12(28-21-16(10-23)20(24)26-11-27-21)19-15(18-4-2-3-7-25-18)9-13-8-14(22)5-6-17(13)29-19/h2-9,11-12H,1H3,(H3,24,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064294
(CHEMBL3403674)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1 Show InChI InChI=1S/C23H21FN8/c1-13(30-23-16(11-25)22(26)28-12-29-23)20-19(18-6-4-5-9-27-18)21(32(2)3)15-10-14(24)7-8-17(15)31-20/h4-10,12-13H,1-3H3,(H3,26,28,29,30) | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064305
(CHEMBL3403669)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1 Show InChI InChI=1S/C24H22FN7O/c1-14(31-24-18(12-26)23(27)29-13-30-24)21-20(15-5-3-2-4-6-15)22(28-9-10-33)17-11-16(25)7-8-19(17)32-21/h2-8,11,13-14,33H,9-10H2,1H3,(H,28,32)(H3,27,29,30,31) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064295
(CHEMBL3403675)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r| Show InChI InChI=1S/C24H21FN8O/c1-13(31-24-17(9-26)23(27)29-12-30-24)21-20(19-4-2-3-7-28-19)22(33-10-15(34)11-33)16-8-14(25)5-6-18(16)32-21/h2-8,12-13,15,34H,10-11H2,1H3,(H3,27,29,30,31)/t13-/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 | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064293
(CHEMBL3403673)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1 Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-14(9-24)20(25)27-10-28-21)19-17(16-4-2-3-7-26-16)18(22)13-8-12(23)5-6-15(13)30-19/h2-8,10-11H,1H3,(H3,25,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064297
(CHEMBL3403677)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccn1 Show InChI InChI=1S/C22H15FN8/c1-12(30-22-16(10-25)21(26)28-11-29-22)20-19(18-4-2-3-7-27-18)15(9-24)14-8-13(23)5-6-17(14)31-20/h2-8,11-12H,1H3,(H3,26,28,29,30) | 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 | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064328
(CHEMBL3403671)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCN(C)C)c1-c1ccccc1 |r| Show InChI InChI=1S/C26H27FN8/c1-16(33-26-20(14-28)25(29)31-15-32-26)23-22(17-7-5-4-6-8-17)24(30-11-12-35(2)3)19-13-18(27)9-10-21(19)34-23/h4-10,13,15-16H,11-12H2,1-3H3,(H,30,34)(H3,29,31,32,33)/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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064328
(CHEMBL3403671)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCN(C)C)c1-c1ccccc1 |r| Show InChI InChI=1S/C26H27FN8/c1-16(33-26-20(14-28)25(29)31-15-32-26)23-22(17-7-5-4-6-8-17)24(30-11-12-35(2)3)19-13-18(27)9-10-21(19)34-23/h4-10,13,15-16H,11-12H2,1-3H3,(H,30,34)(H3,29,31,32,33)/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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064298
(CHEMBL3403678)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1 |r| Show InChI InChI=1S/C26H19FN8/c1-15(34-26-18(13-28)25(29)32-14-33-26)24-23(21-7-3-5-11-31-21)22(20-6-2-4-10-30-20)17-12-16(27)8-9-19(17)35-24/h2-12,14-15H,1H3,(H3,29,32,33,34)/t15-/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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064307
(CHEMBL3400185)Show SMILES COCc1c(-c2ccccn2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H20FN7O/c1-13(30-23-16(10-25)22(26)28-12-29-23)21-20(19-5-3-4-8-27-19)17(11-32-2)15-9-14(24)6-7-18(15)31-21/h3-9,12-13H,11H2,1-2H3,(H3,26,28,29,30)/t13-/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 | 4.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064297
(CHEMBL3403677)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccn1 Show InChI InChI=1S/C22H15FN8/c1-12(30-22-16(10-25)21(26)28-11-29-22)20-19(18-4-2-3-7-27-18)15(9-24)14-8-13(23)5-6-17(14)31-20/h2-8,11-12H,1H3,(H3,26,28,29,30) | 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 | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064307
(CHEMBL3400185)Show SMILES COCc1c(-c2ccccn2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H20FN7O/c1-13(30-23-16(10-25)22(26)28-12-29-23)21-20(19-5-3-4-8-27-19)17(11-32-2)15-9-14(24)6-7-18(15)31-21/h3-9,12-13H,11H2,1-2H3,(H3,26,28,29,30)/t13-/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 | 4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064328
(CHEMBL3403671)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCN(C)C)c1-c1ccccc1 |r| Show InChI InChI=1S/C26H27FN8/c1-16(33-26-20(14-28)25(29)31-15-32-26)23-22(17-7-5-4-6-8-17)24(30-11-12-35(2)3)19-13-18(27)9-10-21(19)34-23/h4-10,13,15-16H,11-12H2,1-3H3,(H,30,34)(H3,29,31,32,33)/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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064304
(CHEMBL3403668)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccc1 |r| Show InChI InChI=1S/C23H16FN7/c1-13(30-23-18(11-26)22(27)28-12-29-23)21-20(14-5-3-2-4-6-14)17(10-25)16-9-15(24)7-8-19(16)31-21/h2-9,12-13H,1H3,(H3,27,28,29,30)/t13-/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 | 5.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064298
(CHEMBL3403678)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1 |r| Show InChI InChI=1S/C26H19FN8/c1-15(34-26-18(13-28)25(29)32-14-33-26)24-23(21-7-3-5-11-31-21)22(20-6-2-4-10-30-20)17-12-16(27)8-9-19(17)35-24/h2-12,14-15H,1H3,(H3,29,32,33,34)/t15-/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 | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064299
(CHEMBL3403679)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ncccc2C)c1-c1ccccn1 |r,wD:1.1,(-4.01,-2.77,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.55,;-6.68,-3.09,;-8.01,-3.86,;-9.35,-3.1,;-9.35,-1.56,;-10.42,-.94,;-8.02,-.78,;-8.03,.76,;-8.03,1.99,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-2.65,5.39,;-1.32,6.16,;.02,5.38,;.01,3.84,;1.07,3.22,;-2.68,.77,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,)| Show InChI InChI=1S/C27H21FN8/c1-15-6-5-11-32-24(15)22-18-12-17(28)8-9-20(18)36-25(23(22)21-7-3-4-10-31-21)16(2)35-27-19(13-29)26(30)33-14-34-27/h3-12,14,16H,1-2H3,(H3,30,33,34,35)/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064303
(CHEMBL3403666)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(O)c1-c1ccccc1 Show InChI InChI=1S/C22H17FN6O/c1-12(28-22-16(10-24)21(25)26-11-27-22)19-18(13-5-3-2-4-6-13)20(30)15-9-14(23)7-8-17(15)29-19/h2-9,11-12H,1H3,(H,29,30)(H3,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064329
(CHEMBL3403672)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2cc1-c1ccccn1 Show InChI InChI=1S/C21H16FN7/c1-12(28-21-16(10-23)20(24)26-11-27-21)19-15(18-4-2-3-7-25-18)9-13-8-14(22)5-6-17(13)29-19/h2-9,11-12H,1H3,(H3,24,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064329
(CHEMBL3403672)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2cc1-c1ccccn1 Show InChI InChI=1S/C21H16FN7/c1-12(28-21-16(10-23)20(24)26-11-27-21)19-15(18-4-2-3-7-25-18)9-13-8-14(22)5-6-17(13)29-19/h2-9,11-12H,1H3,(H3,24,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50064299
(CHEMBL3403679)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ncccc2C)c1-c1ccccn1 |r,wD:1.1,(-4.01,-2.77,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.55,;-6.68,-3.09,;-8.01,-3.86,;-9.35,-3.1,;-9.35,-1.56,;-10.42,-.94,;-8.02,-.78,;-8.03,.76,;-8.03,1.99,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-2.65,5.39,;-1.32,6.16,;.02,5.38,;.01,3.84,;1.07,3.22,;-2.68,.77,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,)| Show InChI InChI=1S/C27H21FN8/c1-15-6-5-11-32-24(15)22-18-12-17(28)8-9-20(18)36-25(23(22)21-7-3-4-10-31-21)16(2)35-27-19(13-29)26(30)33-14-34-27/h3-12,14,16H,1-2H3,(H3,30,33,34,35)/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50064299
(CHEMBL3403679)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ncccc2C)c1-c1ccccn1 |r,wD:1.1,(-4.01,-2.77,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.55,;-6.68,-3.09,;-8.01,-3.86,;-9.35,-3.1,;-9.35,-1.56,;-10.42,-.94,;-8.02,-.78,;-8.03,.76,;-8.03,1.99,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-2.65,5.39,;-1.32,6.16,;.02,5.38,;.01,3.84,;1.07,3.22,;-2.68,.77,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,)| Show InChI InChI=1S/C27H21FN8/c1-15-6-5-11-32-24(15)22-18-12-17(28)8-9-20(18)36-25(23(22)21-7-3-4-10-31-21)16(2)35-27-19(13-29)26(30)33-14-34-27/h3-12,14,16H,1-2H3,(H3,30,33,34,35)/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50064303
(CHEMBL3403666)Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(O)c1-c1ccccc1 Show InChI InChI=1S/C22H17FN6O/c1-12(28-22-16(10-24)21(25)26-11-27-22)19-18(13-5-3-2-4-6-13)20(30)15-9-14(23)7-8-17(15)29-19/h2-9,11-12H,1H3,(H,29,30)(H3,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay |
Bioorg Med Chem Lett 25: 1104-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39 |
More data for this
Ligand-Target Pair | |
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