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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM358576'   
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))
BDBM358576
PNG
((R)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)
Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay


Bioorg Med Chem Lett 27: 2849-2853 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358576
PNG
((R)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)
Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/s1
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US Patent
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358576
PNG
((R)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)
Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/s1
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PC sid
UniChem
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr


Bioorg Med Chem Lett 27: 2849-2853 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358576
PNG
((R)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)
Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr


Bioorg Med Chem Lett 27: 2849-2853 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R
More data for this
Ligand-Target Pair