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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM261095'   
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))
BDBM261095
PNG
((2S)-1-(3-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H27ClN6O3/c1-10-16(23)6-15(12(3)29-21-18(11(2)27-29)20(24)25-9-26-21)19(32-5)17(10)14-7-28(8-14)22(31)13(4)30/h6,9,12-14,30H,7-8H2,1-5H3,(H2,24,25,26)/t12?,13-/m0/s1
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US Patent
n/an/a<10n/an/an/an/a6.725



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Pt...


US Patent US10092570 (2018)


BindingDB Entry DOI: 10.7270/Q2PZ5BW5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261095
PNG
((2S)-1-(3-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H27ClN6O3/c1-10-16(23)6-15(12(3)29-21-18(11(2)27-29)20(24)25-9-26-21)19(32-5)17(10)14-7-28(8-14)22(31)13(4)30/h6,9,12-14,30H,7-8H2,1-5H3,(H2,24,25,26)/t12?,13-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


US Patent US9730939 (2017)


BindingDB Entry DOI: 10.7270/Q2GB265W
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261095
PNG
((2S)-1-(3-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H27ClN6O3/c1-10-16(23)6-15(12(3)29-21-18(11(2)27-29)20(24)25-9-26-21)19(32-5)17(10)14-7-28(8-14)22(31)13(4)30/h6,9,12-14,30H,7-8H2,1-5H3,(H2,24,25,26)/t12?,13-/m0/s1
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261095
PNG
((2S)-1-(3-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H27ClN6O3/c1-10-16(23)6-15(12(3)29-21-18(11(2)27-29)20(24)25-9-26-21)19(32-5)17(10)14-7-28(8-14)22(31)13(4)30/h6,9,12-14,30H,7-8H2,1-5H3,(H2,24,25,26)/t12?,13-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Incyte Holdings Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Pt...


US Patent US10376513 (2019)


BindingDB Entry DOI: 10.7270/Q2GQ7142
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261095
PNG
((2S)-1-(3-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H27ClN6O3/c1-10-16(23)6-15(12(3)29-21-18(11(2)27-29)20(24)25-9-26-21)19(32-5)17(10)14-7-28(8-14)22(31)13(4)30/h6,9,12-14,30H,7-8H2,1-5H3,(H2,24,25,26)/t12?,13-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings Corporation

US Patent


Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors wer...


US Patent US10646492 (2020)


BindingDB Entry DOI: 10.7270/Q2125WP7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261095
PNG
((2S)-1-(3-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H27ClN6O3/c1-10-16(23)6-15(12(3)29-21-18(11(2)27-29)20(24)25-9-26-21)19(32-5)17(10)14-7-28(8-14)22(31)13(4)30/h6,9,12-14,30H,7-8H2,1-5H3,(H2,24,25,26)/t12?,13-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Istanbul University



Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors wer...


Bioorg Med Chem 16: 9113-20 (2008)


BindingDB Entry DOI: 10.7270/Q2SJ1NZ2
More data for this
Ligand-Target Pair