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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'fowler' and Initial = 'kw'   
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))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Biochemical assay using PI3K delta.


US Patent USRE44599 (2013)


BindingDB Entry DOI: 10.7270/Q2736PJJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ.


US Patent US8586597 (2013)


BindingDB Entry DOI: 10.7270/Q2RV0M9J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150175
PNG
(US8980901, 107 | US9149477, Compound 107)
Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Icos Corporation

US Patent


Assay Description
Using the method described in Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kdelta, and for sele...


US Patent US8980901 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V0N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150175
PNG
(US8980901, 107 | US9149477, Compound 107)
Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an...


US Patent US9149477 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X11
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104486
PNG
(US8586597, 101 | USRE44599, 117)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C22H16ClF2N7O/c1-2-15(30-20-18-19(27-9-26-18)28-10-29-20)21-31-16-5-3-4-14(23)17(16)22(33)32(21)13-7-11(24)6-12(25)8-13/h3-10,15H,2H2,1H3,(H2,26,27,28,29,30)/t15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ.


US Patent US8586597 (2013)


BindingDB Entry DOI: 10.7270/Q2RV0M9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM182844
PNG
(US9149477, Compound 117)
Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H16ClF2N7O/c1-2-15(30-20-18-19(27-9-26-18)28-10-29-20)21-31-16-5-3-4-14(23)17(16)22(33)32(21)13-7-11(24)6-12(25)8-13/h3-10,15H,2H2,1H3,(H2,26,27,28,29,30)/t15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an...


US Patent US9149477 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X11
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104486
PNG
(US8586597, 101 | USRE44599, 117)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C22H16ClF2N7O/c1-2-15(30-20-18-19(27-9-26-18)28-10-29-20)21-31-16-5-3-4-14(23)17(16)22(33)32(21)13-7-11(24)6-12(25)8-13/h3-10,15H,2H2,1H3,(H2,26,27,28,29,30)/t15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Biochemical assay using PI3K delta.


US Patent USRE44599 (2013)


BindingDB Entry DOI: 10.7270/Q2736PJJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150172
PNG
(US8980901, 117)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccccc2c(=O)n1-c1cccc(F)c1 |r|
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n/an/a 12n/an/an/an/an/an/a



Icos Corporation

US Patent


Assay Description
Using the method described in Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kdelta, and for sele...


US Patent US8980901 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V0N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM182845
PNG
(US9149477, Compound 98)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2ccccc2c(=O)n1-c1ccccc1
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n/an/a 16n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an...


US Patent US9149477 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X11
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104485
PNG
(US8586597, 99 | USRE44599, 98)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H19N7O/c1-2-16(27-20-18-19(24-12-23-18)25-13-26-20)21-28-17-11-7-6-10-15(17)22(30)29(21)14-8-4-3-5-9-14/h3-13,16H,2H2,1H3,(H2,23,24,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ.


US Patent US8586597 (2013)


BindingDB Entry DOI: 10.7270/Q2RV0M9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150171
PNG
(US8980901, 98)
Show SMILES CC(Nc1ncnc2[nH]cc(C)c12)c1nc2cccc(C)c2c(=O)n1-c1cccc(F)c1
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n/an/a 16n/an/an/an/an/an/a



Icos Corporation

US Patent


Assay Description
Using the method described in Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kdelta, and for sele...


US Patent US8980901 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V0N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104485
PNG
(US8586597, 99 | USRE44599, 98)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H19N7O/c1-2-16(27-20-18-19(24-12-23-18)25-13-26-20)21-28-17-11-7-6-10-15(17)22(30)29(21)14-8-4-3-5-9-14/h3-13,16H,2H2,1H3,(H2,23,24,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Biochemical assay using PI3K delta.


US Patent USRE44599 (2013)


BindingDB Entry DOI: 10.7270/Q2736PJJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150174
PNG
(US8980901, 93 | US9149477, Compound 93)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
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n/an/a 26n/an/an/an/an/an/a



Icos Corporation

US Patent


Assay Description
Using the method described in Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kdelta, and for sele...


US Patent US8980901 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V0N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150174
PNG
(US8980901, 93 | US9149477, Compound 93)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
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n/an/a 26n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an...


US Patent US9149477 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X11
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104488
PNG
(US8586597, 98 | USRE44599, 93)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C23H19F2N7O/c1-3-16(30-21-19-20(27-10-26-19)28-11-29-21)22-31-17-6-4-5-12(2)18(17)23(33)32(22)15-8-13(24)7-14(25)9-15/h4-11,16H,3H2,1-2H3,(H2,26,27,28,29,30)
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n/an/a 26n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ.


US Patent US8586597 (2013)


BindingDB Entry DOI: 10.7270/Q2RV0M9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104488
PNG
(US8586597, 98 | USRE44599, 93)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C23H19F2N7O/c1-3-16(30-21-19-20(27-10-26-19)28-11-29-21)22-31-17-6-4-5-12(2)18(17)23(33)32(22)15-8-13(24)7-14(25)9-15/h4-11,16H,3H2,1-2H3,(H2,26,27,28,29,30)
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n/an/a 26n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Biochemical assay using PI3K delta.


US Patent USRE44599 (2013)


BindingDB Entry DOI: 10.7270/Q2736PJJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104487
PNG
(US8586597, 102 | USRE44599, 174)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(4.1,.06,;2.77,.83,;1.44,.06,;1.44,-1.48,;2.77,-2.25,;4.1,-1.48,;5.44,-2.25,;5.44,-3.79,;4.1,-4.56,;3.78,-6.06,;2.25,-6.22,;1.63,-4.82,;2.77,-3.79,;.1,.83,;-1.23,.06,;-2.56,.83,;-3.9,.06,;-5.23,.83,;-5.23,2.37,;-3.9,3.14,;-3.9,4.68,;-2.56,2.37,;-1.23,3.14,;-1.23,4.68,;.1,2.37,;1.44,3.14,;1.44,4.68,;-.05,5.08,;2.77,5.45,;4.1,4.68,;4.1,3.14,;2.77,2.37,;4.1,1.6,)|
Show InChI InChI=1S/C22H16ClF2N7O/c1-2-14(30-20-17-19(27-9-26-17)28-10-29-20)21-31-15-8-3-5-11(23)16(15)22(33)32(21)18-12(24)6-4-7-13(18)25/h3-10,14H,2H2,1H3,(H2,26,27,28,29,30)
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n/an/a 45n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Biochemical assay using PI3K delta.


US Patent USRE44599 (2013)


BindingDB Entry DOI: 10.7270/Q2736PJJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM104487
PNG
(US8586597, 102 | USRE44599, 174)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(4.1,.06,;2.77,.83,;1.44,.06,;1.44,-1.48,;2.77,-2.25,;4.1,-1.48,;5.44,-2.25,;5.44,-3.79,;4.1,-4.56,;3.78,-6.06,;2.25,-6.22,;1.63,-4.82,;2.77,-3.79,;.1,.83,;-1.23,.06,;-2.56,.83,;-3.9,.06,;-5.23,.83,;-5.23,2.37,;-3.9,3.14,;-3.9,4.68,;-2.56,2.37,;-1.23,3.14,;-1.23,4.68,;.1,2.37,;1.44,3.14,;1.44,4.68,;-.05,5.08,;2.77,5.45,;4.1,4.68,;4.1,3.14,;2.77,2.37,;4.1,1.6,)|
Show InChI InChI=1S/C22H16ClF2N7O/c1-2-14(30-20-17-19(27-9-26-17)28-10-29-20)21-31-15-8-3-5-11(23)16(15)22(33)32(21)18-12(24)6-4-7-13(18)25/h3-10,14H,2H2,1H3,(H2,26,27,28,29,30)
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n/an/a 45n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ.


US Patent US8586597 (2013)


BindingDB Entry DOI: 10.7270/Q2RV0M9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM182846
PNG
(US9149477, Compound 174)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(-6.81,-.53,;-5.47,.24,;-4.14,-.53,;-2.8,.24,;-2.8,1.78,;-1.47,2.55,;-1.47,4.09,;-2.8,4.86,;-4.14,4.09,;-5.6,4.56,;-6.51,3.32,;-5.6,2.07,;-4.14,2.55,;-4.14,-2.07,;-5.47,-2.84,;-5.47,-4.38,;-6.81,-5.15,;-6.81,-6.69,;-5.47,-7.46,;-4.14,-6.69,;-2.8,-7.46,;-4.14,-5.15,;-2.8,-4.38,;-1.47,-5.15,;-2.8,-2.84,;-1.47,-2.07,;-1.47,-.53,;-2.1,.87,;-.14,.24,;1.2,-.53,;1.2,-2.07,;-.14,-2.84,;-.14,-4.38,)|
PDB
MMDB

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US Patent
n/an/a 45n/an/an/an/an/an/a



ICOS Corporation

US Patent


Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an...


US Patent US9149477 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X11
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM150173
PNG
(US8980901, 174)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1cc(F)cc(F)c1
PDB
MMDB

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PC cid
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UniChem

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US Patent
n/an/a 45n/an/an/an/an/an/a



Icos Corporation

US Patent


Assay Description
Using the method described in Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kdelta, and for sele...


US Patent US8980901 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V0N
More data for this
Ligand-Target Pair