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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50203685   
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 delta isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 366n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 491n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-beta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-alpha (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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n/an/a 2.13E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of myristoylated PI3K-beta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair