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Compile Data Set for Download or QSAR

Found 440 hits Enz. Inhib. hit(s) with all data for entry = 1829   
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 alpha isoform


(Homo sapiens (Human))
BDBM342550
PNG
(US10329299, Compound 101 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1C |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-3.79,1.15,;-2.29,1.47,;-1.81,2.94,;-.3,3.26,;.73,2.11,;.17,4.72,;-.73,5.97,;-2.27,5.97,;.17,7.21,;1.64,6.74,;2.97,7.51,;4.3,6.74,;4.3,5.2,;2.97,4.43,;1.64,5.2,;-1.26,.33,;.25,.65,;1.28,-.5,;2.79,-.17,;3.82,-1.32,;3.34,-2.78,;1.84,-3.1,;1.36,-4.57,;.88,-6.03,;.41,-7.5,;-1.06,-7.97,;-1.06,-9.51,;.41,-9.99,;.88,-11.45,;1.31,-8.74,;.81,-1.96,;-.7,-2.28,;-1.18,-3.74,;-1.73,-1.14,;-3.24,-1.46,;-4.27,-.31,;-5.77,-.63,;-6.25,-2.1,;-5.22,-3.24,;-3.71,-2.92,;-2.68,-4.06,)|
Show InChI InChI=1S/C31H24N8O2/c1-19-8-4-5-11-24(19)39-25(20(2)35-30(40)27-28(32)36-38-15-7-14-33-29(27)38)16-23-10-6-9-22(26(23)31(39)41)13-12-21-17-34-37(3)18-21/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342550
PNG
(US10329299, Compound 101 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1C |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-3.79,1.15,;-2.29,1.47,;-1.81,2.94,;-.3,3.26,;.73,2.11,;.17,4.72,;-.73,5.97,;-2.27,5.97,;.17,7.21,;1.64,6.74,;2.97,7.51,;4.3,6.74,;4.3,5.2,;2.97,4.43,;1.64,5.2,;-1.26,.33,;.25,.65,;1.28,-.5,;2.79,-.17,;3.82,-1.32,;3.34,-2.78,;1.84,-3.1,;1.36,-4.57,;.88,-6.03,;.41,-7.5,;-1.06,-7.97,;-1.06,-9.51,;.41,-9.99,;.88,-11.45,;1.31,-8.74,;.81,-1.96,;-.7,-2.28,;-1.18,-3.74,;-1.73,-1.14,;-3.24,-1.46,;-4.27,-.31,;-5.77,-.63,;-6.25,-2.1,;-5.22,-3.24,;-3.71,-2.92,;-2.68,-4.06,)|
Show InChI InChI=1S/C31H24N8O2/c1-19-8-4-5-11-24(19)39-25(20(2)35-30(40)27-28(32)36-38-15-7-14-33-29(27)38)16-23-10-6-9-22(26(23)31(39)41)13-12-21-17-34-37(3)18-21/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342550
PNG
(US10329299, Compound 101 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1C |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-3.79,1.15,;-2.29,1.47,;-1.81,2.94,;-.3,3.26,;.73,2.11,;.17,4.72,;-.73,5.97,;-2.27,5.97,;.17,7.21,;1.64,6.74,;2.97,7.51,;4.3,6.74,;4.3,5.2,;2.97,4.43,;1.64,5.2,;-1.26,.33,;.25,.65,;1.28,-.5,;2.79,-.17,;3.82,-1.32,;3.34,-2.78,;1.84,-3.1,;1.36,-4.57,;.88,-6.03,;.41,-7.5,;-1.06,-7.97,;-1.06,-9.51,;.41,-9.99,;.88,-11.45,;1.31,-8.74,;.81,-1.96,;-.7,-2.28,;-1.18,-3.74,;-1.73,-1.14,;-3.24,-1.46,;-4.27,-.31,;-5.77,-.63,;-6.25,-2.1,;-5.22,-3.24,;-3.71,-2.92,;-2.68,-4.06,)|
Show InChI InChI=1S/C31H24N8O2/c1-19-8-4-5-11-24(19)39-25(20(2)35-30(40)27-28(32)36-38-15-7-14-33-29(27)38)16-23-10-6-9-22(26(23)31(39)41)13-12-21-17-34-37(3)18-21/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342551
PNG
(US10329299, Compound 102 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342551
PNG
(US10329299, Compound 102 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342551
PNG
(US10329299, Compound 102 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342552
PNG
(US10329299, Compound 103 | US10675286, Compound 10...)
Show SMILES CC(C)n1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;$|
Show InChI InChI=1S/C27H24N8O2/c1-16(2)35-21(17(3)31-26(36)23-24(28)32-34-12-6-11-29-25(23)34)13-20-8-5-7-19(22(20)27(35)37)10-9-18-14-30-33(4)15-18/h5-8,11-17H,1-4H3,(H,31,36)/t17-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342552
PNG
(US10329299, Compound 103 | US10675286, Compound 10...)
Show SMILES CC(C)n1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;$|
Show InChI InChI=1S/C27H24N8O2/c1-16(2)35-21(17(3)31-26(36)23-24(28)32-34-12-6-11-29-25(23)34)13-20-8-5-7-19(22(20)27(35)37)10-9-18-14-30-33(4)15-18/h5-8,11-17H,1-4H3,(H,31,36)/t17-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342552
PNG
(US10329299, Compound 103 | US10675286, Compound 10...)
Show SMILES CC(C)n1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;$|
Show InChI InChI=1S/C27H24N8O2/c1-16(2)35-21(17(3)31-26(36)23-24(28)32-34-12-6-11-29-25(23)34)13-20-8-5-7-19(22(20)27(35)37)10-9-18-14-30-33(4)15-18/h5-8,11-17H,1-4H3,(H,31,36)/t17-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342553
PNG
(US10329299, Compound 104 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342553
PNG
(US10329299, Compound 104 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342553
PNG
(US10329299, Compound 104 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342554
PNG
(US10329299, Compound 105 | US10675286, Compound 10...)
Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342554
PNG
(US10329299, Compound 105 | US10675286, Compound 10...)
Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342554
PNG
(US10329299, Compound 105 | US10675286, Compound 10...)
Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342555
PNG
(US10329299, Compound 106 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2ccc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H24N8O2/c1-19-14-15-38-29(34-19)27(28(32)36-38)30(40)35-20(2)25-16-23-9-7-8-22(13-12-21-17-33-37(3)18-21)26(23)31(41)39(25)24-10-5-4-6-11-24/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342555
PNG
(US10329299, Compound 106 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2ccc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H24N8O2/c1-19-14-15-38-29(34-19)27(28(32)36-38)30(40)35-20(2)25-16-23-9-7-8-22(13-12-21-17-33-37(3)18-21)26(23)31(41)39(25)24-10-5-4-6-11-24/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342555
PNG
(US10329299, Compound 106 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2ccc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C31H24N8O2/c1-19-14-15-38-29(34-19)27(28(32)36-38)30(40)35-20(2)25-16-23-9-7-8-22(13-12-21-17-33-37(3)18-21)26(23)31(41)39(25)24-10-5-4-6-11-24/h4-11,14-18,20H,1-3H3,(H,35,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342556
PNG
(US10329299, Compound 107 | US10675286, Compound 10...)
Show SMILES Cn1cc(cn1)C#Cc1cccc2cc(CNC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |$;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C29H22N8O2/c1-35-18-19(16-33-35)11-12-20-7-5-8-21-15-23(37(29(39)24(20)21)22-9-3-2-4-10-22)17-32-28(38)25-26(30)34-36-14-6-13-31-27(25)36/h2-10,13-16,18H,17H2,1H3,(H2,30,34)(H,32,38)
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342556
PNG
(US10329299, Compound 107 | US10675286, Compound 10...)
Show SMILES Cn1cc(cn1)C#Cc1cccc2cc(CNC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |$;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C29H22N8O2/c1-35-18-19(16-33-35)11-12-20-7-5-8-21-15-23(37(29(39)24(20)21)22-9-3-2-4-10-22)17-32-28(38)25-26(30)34-36-14-6-13-31-27(25)36/h2-10,13-16,18H,17H2,1H3,(H2,30,34)(H,32,38)
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342556
PNG
(US10329299, Compound 107 | US10675286, Compound 10...)
Show SMILES Cn1cc(cn1)C#Cc1cccc2cc(CNC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |$;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C29H22N8O2/c1-35-18-19(16-33-35)11-12-20-7-5-8-21-15-23(37(29(39)24(20)21)22-9-3-2-4-10-22)17-32-28(38)25-26(30)34-36-14-6-13-31-27(25)36/h2-10,13-16,18H,17H2,1H3,(H2,30,34)(H,32,38)
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342557
PNG
(US10329299, Compound 108 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2c(C)cc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H26N8O2/c1-19-15-20(2)40-30(35-19)28(29(33)37-40)31(41)36-21(3)26-16-24-10-8-9-23(14-13-22-17-34-38(4)18-22)27(24)32(42)39(26)25-11-6-5-7-12-25/h5-12,15-18,21H,1-4H3,(H,36,41)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342557
PNG
(US10329299, Compound 108 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2c(C)cc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H26N8O2/c1-19-15-20(2)40-30(35-19)28(29(33)37-40)31(41)36-21(3)26-16-24-10-8-9-23(14-13-22-17-34-38(4)18-22)27(24)32(42)39(26)25-11-6-5-7-12-25/h5-12,15-18,21H,1-4H3,(H,36,41)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342557
PNG
(US10329299, Compound 108 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2c(C)cc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H26N8O2/c1-19-15-20(2)40-30(35-19)28(29(33)37-40)31(41)36-21(3)26-16-24-10-8-9-23(14-13-22-17-34-38(4)18-22)27(24)32(42)39(26)25-11-6-5-7-12-25/h5-12,15-18,21H,1-4H3,(H,36,41)/t21-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM342558
PNG
(US10329299, Compound 109 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(N)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C24H19N7O2/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,25H2,1H3,(H,28,32)/t14-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM342558
PNG
(US10329299, Compound 109 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(N)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C24H19N7O2/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,25H2,1H3,(H,28,32)/t14-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM342558
PNG
(US10329299, Compound 109 | US10675286, Compound 10...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(N)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C24H19N7O2/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,25H2,1H3,(H,28,32)/t14-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM339971
PNG
(US10329299, Compound 1 | US10675286, Compound 1 | ...)
Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM339971
PNG
(US10329299, Compound 1 | US10675286, Compound 1 | ...)
Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM339971
PNG
(US10329299, Compound 1 | US10675286, Compound 1 | ...)
Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM339972
PNG
(US10329299, Compound 2 | US10675286, Compound 2 | ...)
Show SMILES CC(C)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C29H24N6O2/c1-18(2)13-14-20-9-7-10-21-17-23(35(29(37)24(20)21)22-11-5-4-6-12-22)19(3)32-28(36)25-26(30)33-34-16-8-15-31-27(25)34/h4-12,15-19H,1-3H3,(H,32,36)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM339972
PNG
(US10329299, Compound 2 | US10675286, Compound 2 | ...)
Show SMILES CC(C)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C29H24N6O2/c1-18(2)13-14-20-9-7-10-21-17-23(35(29(37)24(20)21)22-11-5-4-6-12-22)19(3)32-28(36)25-26(30)33-34-16-8-15-31-27(25)34/h4-12,15-19H,1-3H3,(H,32,36)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM339972
PNG
(US10329299, Compound 2 | US10675286, Compound 2 | ...)
Show SMILES CC(C)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C29H24N6O2/c1-18(2)13-14-20-9-7-10-21-17-23(35(29(37)24(20)21)22-11-5-4-6-12-22)19(3)32-28(36)25-26(30)33-34-16-8-15-31-27(25)34/h4-12,15-19H,1-3H3,(H,32,36)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM339973
PNG
(US10329299, Compound 3 | US10675286, Compound 3 | ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H26N6O2/c1-19(33-28(37)25-26(31)34-35-17-9-16-32-27(25)35)23-18-21-11-8-10-20(14-15-30(2,3)4)24(21)29(38)36(23)22-12-6-5-7-13-22/h5-13,16-19H,1-4H3,(H,33,37)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM339973
PNG
(US10329299, Compound 3 | US10675286, Compound 3 | ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H26N6O2/c1-19(33-28(37)25-26(31)34-35-17-9-16-32-27(25)35)23-18-21-11-8-10-20(14-15-30(2,3)4)24(21)29(38)36(23)22-12-6-5-7-13-22/h5-13,16-19H,1-4H3,(H,33,37)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM339973
PNG
(US10329299, Compound 3 | US10675286, Compound 3 | ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H26N6O2/c1-19(33-28(37)25-26(31)34-35-17-9-16-32-27(25)35)23-18-21-11-8-10-20(14-15-30(2,3)4)24(21)29(38)36(23)22-12-6-5-7-13-22/h5-13,16-19H,1-4H3,(H,33,37)/t19-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192880
PNG
(CHEMBL3984425 | US10329299, Compound 21 | US106752...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50192892
PNG
(CHEMBL3966879 | US10329299, Compound 5 | US1067528...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50192892
PNG
(CHEMBL3966879 | US10329299, Compound 5 | US1067528...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192892
PNG
(CHEMBL3966879 | US10329299, Compound 5 | US1067528...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/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-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM340015
PNG
(US10329299, Compound 7 | US10675286, Compound 7 | ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncn3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H22N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-33-28(26)37)24-16-21-9-6-8-20(12-13-23-17-32-18-36(23)2)25(21)30(40)38(24)22-10-4-3-5-11-22/h3-11,14-19H,1-2H3,(H,34,39)/t19-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM340015
PNG
(US10329299, Compound 7 | US10675286, Compound 7 | ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncn3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H22N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-33-28(26)37)24-16-21-9-6-8-20(12-13-23-17-32-18-36(23)2)25(21)30(40)38(24)22-10-4-3-5-11-22/h3-11,14-19H,1-2H3,(H,34,39)/t19-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
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