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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50011259   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50546014
PNG
(CHEMBL4780201)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(Nc3cnn(CCO)c3)c2c1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADP...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
PDB
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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADP...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50546014
PNG
(CHEMBL4780201)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(Nc3cnn(CCO)c3)c2c1
PDB
MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADP...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50546014
PNG
(CHEMBL4780201)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(Nc3cnn(CCO)c3)c2c1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADP...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
PDB
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADP...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
PDB
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PC sid
PDB
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PDB
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADP...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
PDB
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PC cid
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Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADPG...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50546014
PNG
(CHEMBL4780201)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(Nc3cnn(CCO)c3)c2c1
PDB
MMDB

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PC sid
UniChem
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADPG...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50546013
PNG
(CHEMBL4745877)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(Nc3cnn(CCO)c3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.52E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition and measured after 1 ...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50546014
PNG
(CHEMBL4780201)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(Nc3cnn(CCO)c3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition and measured after 1 ...


Citation and Details

Article DOI: 10.1016/j.bmc.2019.04.024
BindingDB Entry DOI: 10.7270/Q2T1577B
More data for this
Ligand-Target Pair