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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM261065'   
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))
BDBM261065
PNG
(3-{1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyra...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C25H26ClFN6O3/c1-5-29-25(35)19-12(3)18(26)10-17(22(19)36-6-2)13(4)33-24-20(23(28)30-11-31-24)21(32-33)14-7-15(27)9-16(34)8-14/h7-11,13,34H,5-6H2,1-4H3,(H,29,35)(H2,28,30,31)
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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))
BDBM261065
PNG
(3-{1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyra...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C25H26ClFN6O3/c1-5-29-25(35)19-12(3)18(26)10-17(22(19)36-6-2)13(4)33-24-20(23(28)30-11-31-24)21(32-33)14-7-15(27)9-16(34)8-14/h7-11,13,34H,5-6H2,1-4H3,(H,29,35)(H2,28,30,31)
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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))
BDBM261065
PNG
(3-{1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyra...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C25H26ClFN6O3/c1-5-29-25(35)19-12(3)18(26)10-17(22(19)36-6-2)13(4)33-24-20(23(28)30-11-31-24)21(32-33)14-7-15(27)9-16(34)8-14/h7-11,13,34H,5-6H2,1-4H3,(H,29,35)(H2,28,30,31)
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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))
BDBM261065
PNG
(3-{1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyra...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C25H26ClFN6O3/c1-5-29-25(35)19-12(3)18(26)10-17(22(19)36-6-2)13(4)33-24-20(23(28)30-11-31-24)21(32-33)14-7-15(27)9-16(34)8-14/h7-11,13,34H,5-6H2,1-4H3,(H,29,35)(H2,28,30,31)
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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))
BDBM261065
PNG
(3-{1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyra...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C25H26ClFN6O3/c1-5-29-25(35)19-12(3)18(26)10-17(22(19)36-6-2)13(4)33-24-20(23(28)30-11-31-24)21(32-33)14-7-15(27)9-16(34)8-14/h7-11,13,34H,5-6H2,1-4H3,(H,29,35)(H2,28,30,31)
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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