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BDBM255859 US10092570, Example 68::US10376513, Example 68::US10646492, Example 68::US9707233, 68 (1st peak)::US9730939, Example 68::US9932341, Example 68

SMILES: COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=QKFMWXFSQKPVRN-NUHJPDEHSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 255859   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p110delta/p85alpha


(Homo sapiens (Human))
BDBM255859
PNG
(US10092570, Example 68 | US10376513, Example 68 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12?/m0/s1
PDB

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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a6.725



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms α,...


US Patent US9707233 (2017)


BindingDB Entry DOI: 10.7270/Q2S46V0R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255859
PNG
(US10092570, Example 68 | US10376513, Example 68 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12?/m0/s1
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PC sid
UniChem
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))
BDBM255859
PNG
(US10092570, Example 68 | US10376513, Example 68 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12?/m0/s1
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UniChem
US Patent
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))
BDBM255859
PNG
(US10092570, Example 68 | US10376513, Example 68 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12?/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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255859
PNG
(US10092570, Example 68 | US10376513, Example 68 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12?/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255859
PNG
(US10092570, Example 68 | US10376513, Example 68 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12?/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))
BDBM255859
PNG
(US10092570, Example 68 | US10376513, Example 68 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12?/m0/s1
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US Patent
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