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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50015335   
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 gamma isoform


(Homo sapiens (Human))
BDBM50585540
PNG
(CHEMBL5091789)
Show SMILES NC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114055
BindingDB Entry DOI: 10.7270/Q2NV9P4M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50585541
PNG
(CHEMBL5071942)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114055
BindingDB Entry DOI: 10.7270/Q2NV9P4M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50585547
PNG
(CHEMBL5079231)
Show SMILES CN(C)[C@@H]1C[C@H](N(C1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1)C(N)=O |r|
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PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114055
BindingDB Entry DOI: 10.7270/Q2NV9P4M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50585553
PNG
(CHEMBL5093540)
Show SMILES C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1)C(N)=O |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114055
BindingDB Entry DOI: 10.7270/Q2NV9P4M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50585560
PNG
(CHEMBL5071085)
Show SMILES C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOC[C@@H]2C)N2CCOCC2)cc1)C(N)=O |r|
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PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114055
BindingDB Entry DOI: 10.7270/Q2NV9P4M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50308135
PNG
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114055
BindingDB Entry DOI: 10.7270/Q2NV9P4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50585549
PNG
(CHEMBL5084675)
Show SMILES NC(=O)[C@@H]1CC(O)CN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114055
BindingDB Entry DOI: 10.7270/Q2NV9P4M
More data for this
Ligand-Target Pair