Found 41 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 alpha isoform
(Homo sapiens (Human)) | BDBM50094479
(CHEMBL3590225)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kdelta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kdelta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094475
(CHEMBL3590221)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094474
(CHEMBL3590220)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3 | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094478
(CHEMBL3590224)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cn(C)c(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-20(34)32-10-8-15(9-11-32)18-13-31(3)22(27-18)17-12-25-21(24)23(26-17)33-19-7-5-4-6-16(19)28-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50094479
(CHEMBL3590225)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094479
(CHEMBL3590225)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094475
(CHEMBL3590221)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50094474
(CHEMBL3590220)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50094475
(CHEMBL3590221)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3 | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094474
(CHEMBL3590220)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3 | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kgamma using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094477
(CHEMBL3590223)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094479
(CHEMBL3590225)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kgamma using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094475
(CHEMBL3590221)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3 | 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 | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094478
(CHEMBL3590224)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cn(C)c(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-20(34)32-10-8-15(9-11-32)18-13-31(3)22(27-18)17-12-25-21(24)23(26-17)33-19-7-5-4-6-16(19)28-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50094477
(CHEMBL3590223)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094478
(CHEMBL3590224)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cn(C)c(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-20(34)32-10-8-15(9-11-32)18-13-31(3)22(27-18)17-12-25-21(24)23(26-17)33-19-7-5-4-6-16(19)28-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094474
(CHEMBL3590220)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3 | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094477
(CHEMBL3590223)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b... |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50094477
(CHEMBL3590223)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094479
(CHEMBL3590225)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50094478
(CHEMBL3590224)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cn(C)c(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-20(34)32-10-8-15(9-11-32)18-13-31(3)22(27-18)17-12-25-21(24)23(26-17)33-19-7-5-4-6-16(19)28-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094475
(CHEMBL3590221)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3 | 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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094478
(CHEMBL3590224)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cn(C)c(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-20(34)32-10-8-15(9-11-32)18-13-31(3)22(27-18)17-12-25-21(24)23(26-17)33-19-7-5-4-6-16(19)28-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094474
(CHEMBL3590220)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3 | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094477
(CHEMBL3590223)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50094473
(CHEMBL3590219)Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24) | 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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of m-TOR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50094476
(CHEMBL3590222)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)20-26-21(31(3)28-20)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24) | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of m-TOR (unknown origin) |
Bioorg Med Chem Lett 25: 2679-85 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S |
More data for this
Ligand-Target Pair | |
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