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9 similar compounds to monomer 50403068

Compile data set for download or QSAR
Wt: 397.4
BDBM104485
Wt: 467.8
BDBM104486
Wt: 467.8
BDBM104487
Wt: 447.4
BDBM104488
Wt: 397.4
BDBM119781
Wt: 401.3
BDBM150172
Wt: 437.3
BDBM150173
Wt: 447.4
BDBM150174
Wt: 415.4
BDBM150175
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 104485,104486,104487,104488,119781,150172,150173,150174,150175   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM119781
PNG
(US8691829, 4b)
Show SMILES CC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)21(28-16)14(2)27-20-18-19(24-11-23-18)25-12-26-20/h3-12,14H,1-2H3,(H2,23,24,25,26,27)
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5n/an/an/an/an/an/an/an/a



Gilead Calistoga LLC

US Patent


Assay Description
The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...


US Patent US8691829 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49XX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma 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 2n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM104485
PNG
(US8586597, 99 | USRE44599, 98)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1/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/gamma isoform


(Homo sapiens (Human))
BDBM104487
PNG
(US8586597, 102 | USRE44599, 174)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F
Show InChI InChI=1/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/gamma 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=1/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/gamma 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
Show InChI InChI=1/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-/s2
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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/gamma isoform


(Homo sapiens (Human))
BDBM104485
PNG
(US8586597, 99 | USRE44599, 98)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1/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/gamma isoform


(Homo sapiens (Human))
BDBM104487
PNG
(US8586597, 102 | USRE44599, 174)
Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F
Show InChI InChI=1/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/gamma 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=1/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/gamma isoform


(Homo sapiens (Human))
BDBM150172
PNG
(US8980901, 117)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccccc2c(=O)n1-c1cccc(F)c1
Show InChI InChI=1/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-3-2-7-15(16)21(30)29(20)14-6-4-5-13(22)9-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/s2
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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/gamma 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/gamma isoform


(Homo sapiens (Human))
BDBM150173
PNG
(US8980901, 174)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1/C21H14F3N7O/c1-10(29-19-17-18(26-8-25-17)27-9-28-19)20-30-16-3-2-11(22)7-15(16)21(32)31(20)14-5-12(23)4-13(24)6-14/h2-10H,1H3,(H2,25,26,27,28,29)
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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma 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
Show InChI InChI=1/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
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/gamma 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/gamma 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
Show InChI InChI=1/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
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 gamma 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 64n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma 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
Show InChI InChI=1/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-/s2
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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