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Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'dinitto' and Initial = 'jp'   
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 gamma isoform


(Mus musculus (Mouse))
BDBM50192880
PNG
(CHEMBL3984425 | US9775844, Compound 4)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/s2
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n/an/a 1.20n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in C5a-stimulated mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84796
PNG
(PF-00215924)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C18H14ClN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2/q-1/t16-/m0/s1
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n/an/a 1.80n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84788
PNG
((9a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-11-14-22(17-25(20)29(40)41)28(39)36-32(5,43)33-19-21-12-15-24(16-13-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
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n/an/a 6n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84786
PNG
((10a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-17-22(13-16-25(20)29(40)41)28(39)36-32(5,43)33-19-21-11-14-24(15-12-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
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n/an/a 7n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84782
PNG
((5a) BIRB796)
Show SMILES CC(=O)c1cc(ccc1C)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H35N5O3/c1-22-13-16-26(19-29(22)23(2)41)33(42)36-21-24-14-17-27(18-15-24)40-32(20-31(39-40)35(3,4)5)38-34(43)37-30-12-8-10-25-9-6-7-11-28(25)30/h6-20H,21H2,1-5H3,(H,36,42)(H2,37,38,43)
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n/an/a 8n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84785
PNG
((7a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-12-15-24(18-27(21)32(41)42)31(40)35-20-22-13-16-25(17-14-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-26(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84791
PNG
((11a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H38N6O5/c1-21-12-15-23(18-26(21)30(41)42)29(40)37-33(5,6,44)34-20-22-13-16-25(17-14-22)39-28(19-27(38-39)32(2,3)4)36-31(43)35-24-10-8-7-9-11-24/h7-19H,20H2,1-6H3,(H,41,42)(H2,35,36,43)(H2,34,37,40,44)
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n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192889
PNG
(CHEMBL3975359)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C26H20N6O2/c1-3-17-9-7-10-18-15-20(32(26(34)21(17)18)19-11-5-4-6-12-19)16(2)29-25(33)22-23(27)30-31-14-8-13-28-24(22)31/h1,4-16H,2H3,(H2,27,30)(H,29,33)/t16-/s2
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n/an/a 14n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US9775844, Compound 4)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/s2
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n/an/a 16n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84789
PNG
((9b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C38H45N7O6/c1-24-15-18-26(21-30(24)34(47)48)33(46)42-38(51,27-11-9-10-12-27)44-37(5,50)39-23-25-16-19-29(20-17-25)45-32(22-31(43-45)36(2,3)4)41-35(49)40-28-13-7-6-8-14-28/h6-8,13-22,27H,9-12,23H2,1-5H3,(H,47,48)(H2,40,41,49)(H3,39,42,44,46,50,51)
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n/an/a 22n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 25n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192882
PNG
(CHEMBL3937119)
Show SMILES CC#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H22N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h4-8,10-17H,1-2H3,(H2,28,31)(H,30,34)/t17-/s2
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n/an/a 25n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84783
PNG
((5b) BIRB796)
Show SMILES CC(=O)c1cc(ccc1C)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C41H45N6O4/c1-26-17-20-30(23-34(26)27(2)48)38(49)45-41(51,31-13-7-8-14-31)42-25-28-18-21-32(22-19-28)47-37(24-36(46-47)40(3,4)5)44-39(50)43-35-16-10-12-29-11-6-9-15-33(29)35/h6,9-12,15-24,31H,7-8,13-14,25H2,1-5H3,(H2,43,44,50)(H2,42,45,49,51)
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n/an/a 26n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84792
PNG
((11b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H34N6O5/c1-23-12-15-25(19-29(23)34(45)46)33(44)41-18-8-9-26(22-41)32(43)37-21-24-13-16-28(17-14-24)42-31(20-30(40-42)36(2,3)4)39-35(47)38-27-10-6-5-7-11-27/h5-20,22H,21H2,1-4H3,(H3-,37,38,39,40,43,45,46,47)/p+1
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n/an/a 35n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84790
PNG
((7b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C40H43N6O5/c1-25-16-19-28(22-32(25)37(48)49)36(47)44-40(51,29-12-6-7-13-29)41-24-26-17-20-30(21-18-26)46-35(23-34(45-46)39(2,3)4)43-38(50)42-33-15-9-11-27-10-5-8-14-31(27)33/h5,8-11,14-23,29H,6-7,12-13,24H2,1-4H3,(H,48,49)(H2,42,43,50)(H2,41,44,47,51)
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n/an/a 36n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192899
PNG
(CHEMBL3963736)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C24H19ClN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/s2
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n/an/a 40n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192883
PNG
(CHEMBL3976330)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C24H19FN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84794
PNG
((12a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H38N6O5/c1-21-18-23(14-17-26(21)30(41)42)29(40)37-33(5,6,44)34-20-22-12-15-25(16-13-22)39-28(19-27(38-39)32(2,3)4)36-31(43)35-24-10-8-7-9-11-24/h7-19H,20H2,1-6H3,(H,41,42)(H2,35,36,43)(H2,34,37,40,44)
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n/an/a 53n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192901
PNG
(CHEMBL3911278)
Show SMILES C[C@H](NC(=O)c1c(N)ncc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C26H20ClN5O2/c1-15(31-25(33)22-23-17(8-6-12-29-23)14-30-24(22)28)20-13-16-7-5-11-19(27)21(16)26(34)32(20)18-9-3-2-4-10-18/h2-15H,1H3,(H2,28,30)(H,31,33)/t15-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84793
PNG
((12b) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H34N6O5/c1-23-19-25(14-17-29(23)34(45)46)33(44)41-18-8-9-26(22-41)32(43)37-21-24-12-15-28(16-13-24)42-31(20-30(40-42)36(2,3)4)39-35(47)38-27-10-6-5-7-11-27/h5-20,22H,21H2,1-4H3,(H3-,37,38,39,40,43,45,46,47)/p+1
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n/an/a 62n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192885
PNG
(CHEMBL3923629 | US9775844, Compound 54)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cscn3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C29H21N7O2S/c1-18(33-28(37)25-26(30)34-35-14-6-13-31-27(25)35)23-15-20-8-5-7-19(11-12-21-16-39-17-32-21)24(20)29(38)36(23)22-9-3-2-4-10-22/h2-10,13-18H,1H3,(H2,30,34)(H,33,37)/t18-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192881
PNG
(CHEMBL3914602 | US9775844, Compound 30)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccn(C)n3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C30H24N8O2/c1-19(33-29(39)26-27(31)35-37-16-7-15-32-28(26)37)24-18-21-9-6-8-20(12-13-22-14-17-36(2)34-22)25(21)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,33,39)/t19-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192888
PNG
(CHEMBL3947903)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C25H22N6O2/c1-15-8-6-9-17-14-19(31(25(33)20(15)17)18-10-4-3-5-11-18)16(2)28-24(32)21-22(26)29-30-13-7-12-27-23(21)30/h3-14,16H,1-2H3,(H2,26,29)(H,28,32)/t16-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84796
PNG
(PF-00215924)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C18H14ClN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2/q-1/t16-/m0/s1
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n/an/a 110n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192909
PNG
(CHEMBL3921445 | US9775844, Compound 41)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncs3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C29H21N7O2S/c1-18(33-28(37)25-26(30)34-35-14-6-13-32-27(25)35)23-15-20-8-5-7-19(11-12-22-16-31-17-39-22)24(20)29(38)36(23)21-9-3-2-4-10-21/h2-10,13-18H,1H3,(H2,30,34)(H,33,37)/t18-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192895
PNG
(CHEMBL3928146 | US9775844, Compound 17)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cccnc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-17-7-16-34-29(27)37)25-18-23-10-5-9-22(14-13-21-8-6-15-33-19-21)26(23)31(40)38(25)24-11-3-2-4-12-24/h2-12,15-20H,1H3,(H2,32,36)(H,35,39)/t20-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50192892
PNG
(CHEMBL3966879 | US9775844, Compound 5)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C32H24N6O2/c1-21(35-31(39)28-29(33)36-37-19-9-18-34-30(28)37)26-20-24-13-8-12-23(17-16-22-10-4-2-5-11-22)27(24)32(40)38(26)25-14-6-3-7-15-25/h2-15,18-21H,1H3,(H2,33,36)(H,35,39)/t21-/s2
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n/an/a 140n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192891
PNG
(CHEMBL3959293)
Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C25H21ClN6O2/c1-2-18(29-24(33)21-22(27)30-31-13-7-12-28-23(21)31)19-14-15-8-6-11-17(26)20(15)25(34)32(19)16-9-4-3-5-10-16/h3-14,18H,2H2,1H3,(H2,27,30)(H,29,33)/t18-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192894
PNG
(CHEMBL3893430 | US9775844, Compound 32)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccn3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-18-8-17-34-29(27)37)25-19-22-10-7-9-21(14-15-23-11-5-6-16-33-23)26(22)31(40)38(25)24-12-3-2-4-13-24/h2-13,16-20H,1H3,(H2,32,36)(H,35,39)/t20-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US9775844, Compound 4)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in IgM-stimulated human Raji cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by sti...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84797
PNG
(PF-00215937 | PF-00215955)
Show SMILES Brc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C18H15BrN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2,(H,21,22)/t16-/m0/s1
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n/an/a 220n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US9775844, Compound 4)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/s2
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Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISA


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192897
PNG
(CHEMBL3944056)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#N)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C25H19N7O2/c1-15(29-24(33)21-22(27)30-31-12-6-11-28-23(21)31)19-13-16-7-5-8-17(14-26)20(16)25(34)32(19)18-9-3-2-4-10-18/h2-13,15H,1H3,(H2,27,30)(H,29,33)/t15-/s2
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n/an/a 240n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US9775844, Compound 4)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/s2
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n/an/a 250n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human SKOV-3 cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISA


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84786
PNG
((10a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-17-22(13-16-25(20)29(40)41)28(39)36-32(5,43)33-19-21-11-14-24(15-12-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
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n/an/a 261n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192892
PNG
(CHEMBL3966879 | US9775844, Compound 5)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C32H24N6O2/c1-21(35-31(39)28-29(33)36-37-19-9-18-34-30(28)37)26-20-24-13-8-12-23(17-16-22-10-4-2-5-11-22)27(24)32(40)38(26)25-14-6-3-7-15-25/h2-15,18-21H,1H3,(H2,33,36)(H,35,39)/t21-/s2
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n/an/a 280n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192900
PNG
(CHEMBL3917188)
Show SMILES C[C@H](NC(=O)c1c(N)nn2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C25H20ClN5O2/c1-15(28-24(32)22-19-12-5-6-13-30(19)29-23(22)27)20-14-16-8-7-11-18(26)21(16)25(33)31(20)17-9-3-2-4-10-17/h2-15H,1H3,(H2,27,29)(H,28,32)/t15-/s2
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n/an/a 300n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50192901
PNG
(CHEMBL3911278)
Show SMILES C[C@H](NC(=O)c1c(N)ncc2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C26H20ClN5O2/c1-15(31-25(33)22-23-17(8-6-12-29-23)14-30-24(22)28)20-13-16-7-5-11-19(27)21(16)26(34)32(20)18-9-3-2-4-10-18/h2-15H,1H3,(H2,28,30)(H,31,33)/t15-/s2
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n/an/a 320n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84799
PNG
(PF-04764755)
Show SMILES Brc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1 |w:12.13|
Show InChI InChI=1S/C18H15BrN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2,(H,21,22)
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n/an/a 320n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US9775844, Compound 70)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/s2
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n/an/a 330n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192911
PNG
(CHEMBL3955769 | US9775844, Compound 26)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccncc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-18-6-15-34-29(27)37)25-19-23-8-5-7-22(12-11-21-13-16-33-17-14-21)26(23)31(40)38(25)24-9-3-2-4-10-24/h2-10,13-20H,1H3,(H2,32,36)(H,35,39)/t20-/s2
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n/an/a 350n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192908
PNG
(CHEMBL3895629 | US9775844, Compound 59)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3nccs3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C29H21N7O2S/c1-18(33-28(37)25-26(30)34-35-15-6-13-32-27(25)35)22-17-20-8-5-7-19(11-12-23-31-14-16-39-23)24(20)29(38)36(22)21-9-3-2-4-10-21/h2-10,13-18H,1H3,(H2,30,34)(H,33,37)/t18-/s2
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n/an/a 360n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84788
PNG
((9a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-11-14-22(17-25(20)29(40)41)28(39)36-32(5,43)33-19-21-12-15-24(16-13-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
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n/an/a 376n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 393n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192890
PNG
(CHEMBL3908224)
Show SMILES C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C24H18ClN5O2/c1-15(28-23(31)18-14-27-29-12-6-11-26-22(18)29)20-13-16-7-5-10-19(25)21(16)24(32)30(20)17-8-3-2-4-9-17/h2-15H,1H3,(H,28,31)/t15-/s2
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n/an/a 400n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50192899
PNG
(CHEMBL3963736)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C24H19ClN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/s2
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n/an/a 400n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50192883
PNG
(CHEMBL3976330)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C24H19FN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/s2
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n/an/a 530n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50192891
PNG
(CHEMBL3959293)
Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C25H21ClN6O2/c1-2-18(29-24(33)21-22(27)30-31-13-7-12-28-23(21)31)19-14-15-8-6-11-17(26)20(15)25(34)32(19)16-9-4-3-5-10-16/h3-14,18H,2H2,1H3,(H2,27,30)(H,29,33)/t18-/s2
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n/an/a 600n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 664n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
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