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Compile Data Set for Download or QSAR

Found 1552 hits with Last Name = 'janardanannair' and Initial = 's'   
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 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338879
PNG
(US9751888, Compound 70)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-11-3-10-27-22(20)30)18-12-14-4-2-5-17(25)19(14)24(34)31(18)15-6-8-16(32)9-7-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/m0/s1
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n/an/a 5.5n/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338879
PNG
(US9751888, Compound 70)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-11-3-10-27-22(20)30)18-12-14-4-2-5-17(25)19(14)24(34)31(18)15-6-8-16(32)9-7-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338854
PNG
(US9751888, Compound 19)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(N)(=O)=O |r|
Show InChI InChI=1S/C20H20ClN7O4S/c1-11(25-19(29)16-17(22)26-28-7-3-6-24-18(16)28)14-10-12-4-2-5-13(21)15(12)20(30)27(14)8-9-33(23,31)32/h2-7,10-11H,8-9H2,1H3,(H2,22,26)(H,25,29)(H2,23,31,32)/t11-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338857
PNG
(US9751888, Compound 43)
Show SMILES C[C@H](NC(=O)c1c(N)ncn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H19ClN6O2/c1-14(29-23(32)20-21(26)28-13-30-11-10-27-22(20)30)18-12-15-6-5-9-17(25)19(15)24(33)31(18)16-7-3-2-4-8-16/h2-14H,26H2,1H3,(H,29,32)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338858
PNG
(US9751888, Compound 45)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H17ClFN7O2/c1-12(28-22(33)18-19(26)30-31-11-3-10-27-21(18)31)20-29-16-5-2-4-15(24)17(16)23(34)32(20)14-8-6-13(25)7-9-14/h2-12H,1H3,(H2,26,30)(H,28,33)/t12-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338863
PNG
(US9751888, Compound 53)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(27-21(31)18-19(24)28-30-11-4-8-25-20(18)30)16-12-14-6-3-7-15(23)17(14)22(32)29(16)10-5-9-26-35(2,33)34/h3-4,6-8,11-13,26H,5,9-10H2,1-2H3,(H2,24,28)(H,27,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338863
PNG
(US9751888, Compound 53)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(27-21(31)18-19(24)28-30-11-4-8-25-20(18)30)16-12-14-6-3-7-15(23)17(14)22(32)29(16)10-5-9-26-35(2,33)34/h3-4,6-8,11-13,26H,5,9-10H2,1-2H3,(H2,24,28)(H,27,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338864
PNG
(US9751888, Compound 54)
Show SMILES CNS(=O)(=O)CCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-8-4-7-25-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)9-10-34(32,33)24-2/h3-8,11-12,24H,9-10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338868
PNG
(US9751888, Compound 58)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(26-21(31)18-19(24)27-30-9-5-8-25-20(18)30)16-12-14-6-4-7-15(23)17(14)22(32)29(16)10-11-35(33,34)28(2)3/h4-9,12-13H,10-11H2,1-3H3,(H2,24,27)(H,26,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338870
PNG
(US9751888, Compound 61)
Show SMILES CCS(=O)(=O)NCCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-3-35(33,34)26-9-11-29-16(12-14-6-4-7-15(23)17(14)22(29)32)13(2)27-21(31)18-19(24)28-30-10-5-8-25-20(18)30/h4-8,10,12-13,26H,3,9,11H2,1-2H3,(H2,24,28)(H,27,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338877
PNG
(US9751888, Compound 68)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1O |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-11-5-10-27-22(20)30)17-12-14-6-4-7-15(25)19(14)24(34)31(17)16-8-2-3-9-18(16)32/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338878
PNG
(US9751888, Compound 69)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-10-4-9-27-22(20)30)18-11-14-5-2-8-17(25)19(14)24(34)31(18)15-6-3-7-16(32)12-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338878
PNG
(US9751888, Compound 69)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-10-4-9-27-22(20)30)18-11-14-5-2-8-17(25)19(14)24(34)31(18)15-6-3-7-16(32)12-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338849
PNG
(US9751888, Compound 13)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O |r|
Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-9-4-7-24-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)10-8-25-34(2,32)33/h3-7,9,11-12,25H,8,10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338851
PNG
(US9751888, Compound 16)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn[nH]1 |r|
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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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338903
PNG
(US9751888, Compound 95)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2ccccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C23H19N7O2/c1-14(26-22(31)18-19(24)28-29-13-7-12-25-21(18)29)20-27-17-11-6-5-10-16(17)23(32)30(20)15-8-3-2-4-9-15/h2-14H,1H3,(H2,24,28)(H,26,31)/t14-/m0/s1
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n/an/a 300n/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338894
PNG
(US9751888, Compound 85)
Show SMILES COc1ccccc1-n1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,wD:20.23,(-1.61,-5.96,;-.89,-4.6,;-1.92,-3.45,;-3.43,-3.77,;-4.46,-2.63,;-3.98,-1.17,;-2.48,-.85,;-1.45,-1.99,;.06,-1.67,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;-.49,.94,;-2,.62,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,)|
Show InChI InChI=1S/C25H21ClN6O3/c1-14(29-24(33)21-22(27)30-31-12-6-11-28-23(21)31)18-13-15-7-5-8-16(26)20(15)25(34)32(18)17-9-3-4-10-19(17)35-2/h3-14H,1-2H3,(H2,27,30)(H,29,33)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338848
PNG
(US9751888, Compound 5)
Show SMILES CCn1cc(cn1)-c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C29H26N8O2/c1-3-35-17-20(16-32-35)22-12-7-9-19-15-23(37(29(39)24(19)22)21-10-5-4-6-11-21)18(2)33-28(38)25-26(30)34-36-14-8-13-31-27(25)36/h4-18H,3H2,1-2H3,(H2,30,34)(H,33,38)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338852
PNG
(US9751888, Compound 17)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1Cc1nnn[nH]1 |r|
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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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338854
PNG
(US9751888, Compound 19)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(N)(=O)=O |r|
Show InChI InChI=1S/C20H20ClN7O4S/c1-11(25-19(29)16-17(22)26-28-7-3-6-24-18(16)28)14-10-12-4-2-5-13(21)15(12)20(30)27(14)8-9-33(23,31)32/h2-7,10-11H,8-9H2,1H3,(H2,22,26)(H,25,29)(H2,23,31,32)/t11-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338856
PNG
(US9751888, Compound 21)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1c[nH]cn1 |r|
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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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338857
PNG
(US9751888, Compound 43)
Show SMILES C[C@H](NC(=O)c1c(N)ncn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H19ClN6O2/c1-14(29-23(32)20-21(26)28-13-30-11-10-27-22(20)30)18-12-15-6-5-9-17(25)19(15)24(33)31(18)16-7-3-2-4-8-16/h2-14H,26H2,1H3,(H,29,32)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338859
PNG
(US9751888, Compound 46)
Show SMILES C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H16ClFN6O2/c1-11(27-20(30)17-18(24)26-10-9-25-17)19-28-15-4-2-3-14(22)16(15)21(31)29(19)13-7-5-12(23)6-8-13/h2-11H,1H3,(H2,24,26)(H,27,30)/t11-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338860
PNG
(US9751888, Compound 48)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H23N9O2/c1-18(34-28(39)25-26(31)35-37-13-6-12-32-27(25)37)23-15-19-7-5-10-22(20-16-33-36(17-20)14-11-30)24(19)29(40)38(23)21-8-3-2-4-9-21/h2-10,12-13,15-18H,14H2,1H3,(H2,31,35)(H,34,39)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338861
PNG
(US9751888, Compound 50)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC(F)(F)F)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C29H23F3N8O2/c1-17(36-27(41)24-25(33)37-39-12-6-11-34-26(24)39)22-13-18-7-5-10-21(19-14-35-38(15-19)16-29(30,31)32)23(18)28(42)40(22)20-8-3-2-4-9-20/h2-15,17H,16H2,1H3,(H2,33,37)(H,36,41)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338863
PNG
(US9751888, Compound 53)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(27-21(31)18-19(24)28-30-11-4-8-25-20(18)30)16-12-14-6-3-7-15(23)17(14)22(32)29(16)10-5-9-26-35(2,33)34/h3-4,6-8,11-13,26H,5,9-10H2,1-2H3,(H2,24,28)(H,27,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338864
PNG
(US9751888, Compound 54)
Show SMILES CNS(=O)(=O)CCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-8-4-7-25-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)9-10-34(32,33)24-2/h3-8,11-12,24H,9-10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338864
PNG
(US9751888, Compound 54)
Show SMILES CNS(=O)(=O)CCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-8-4-7-25-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)9-10-34(32,33)24-2/h3-8,11-12,24H,9-10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338865
PNG
(US9751888, Compound 55)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnnn1C |r|
Show InChI InChI=1S/C22H21ClN10O2/c1-12(26-21(34)18-19(24)28-33-9-4-8-25-20(18)33)15-11-13-5-3-6-14(23)17(13)22(35)32(15)10-7-16-27-29-30-31(16)2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,24,28)(H,26,34)/t12-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338865
PNG
(US9751888, Compound 55)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnnn1C |r|
Show InChI InChI=1S/C22H21ClN10O2/c1-12(26-21(34)18-19(24)28-33-9-4-8-25-20(18)33)15-11-13-5-3-6-14(23)17(13)22(35)32(15)10-7-16-27-29-30-31(16)2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,24,28)(H,26,34)/t12-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338867
PNG
(US9751888, Compound 57)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
Show InChI InChI=1S/C22H23ClN6O4S/c1-13(26-21(30)18-19(24)27-29-10-4-8-25-20(18)29)16-12-14-6-3-7-15(23)17(14)22(31)28(16)9-5-11-34(2,32)33/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3,(H2,24,27)(H,26,30)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338867
PNG
(US9751888, Compound 57)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
Show InChI InChI=1S/C22H23ClN6O4S/c1-13(26-21(30)18-19(24)27-29-10-4-8-25-20(18)29)16-12-14-6-3-7-15(23)17(14)22(31)28(16)9-5-11-34(2,32)33/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3,(H2,24,27)(H,26,30)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338868
PNG
(US9751888, Compound 58)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(26-21(31)18-19(24)27-30-9-5-8-25-20(18)30)16-12-14-6-4-7-15(23)17(14)22(32)29(16)10-11-35(33,34)28(2)3/h4-9,12-13H,10-11H2,1-3H3,(H2,24,27)(H,26,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338870
PNG
(US9751888, Compound 61)
Show SMILES CCS(=O)(=O)NCCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-3-35(33,34)26-9-11-29-16(12-14-6-4-7-15(23)17(14)22(29)32)13(2)27-21(31)18-19(24)28-30-10-5-8-25-20(18)30/h4-8,10,12-13,26H,3,9,11H2,1-2H3,(H2,24,28)(H,27,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338870
PNG
(US9751888, Compound 61)
Show SMILES CCS(=O)(=O)NCCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-3-35(33,34)26-9-11-29-16(12-14-6-4-7-15(23)17(14)22(29)32)13(2)27-21(31)18-19(24)28-30-10-5-8-25-20(18)30/h4-8,10,12-13,26H,3,9,11H2,1-2H3,(H2,24,28)(H,27,31)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338872
PNG
(US9751888, Compound 63)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1cnn[nH]1 |r|
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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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338877
PNG
(US9751888, Compound 68)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1O |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-11-5-10-27-22(20)30)17-12-14-6-4-7-15(25)19(14)24(34)31(17)16-8-2-3-9-18(16)32/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338878
PNG
(US9751888, Compound 69)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-10-4-9-27-22(20)30)18-11-14-5-2-8-17(25)19(14)24(34)31(18)15-6-3-7-16(32)12-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338881
PNG
(US9751888, Compound 72)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC(C1)NS(C)(=O)=O |r,wD:1.0,(-1.45,.19,;.06,.51,;.54,1.98,;-.49,3.12,;-2,2.8,;-.02,4.59,;-.92,5.83,;-2.46,5.83,;-.02,7.08,;1.45,6.6,;2.78,7.37,;4.11,6.6,;4.11,5.06,;2.78,4.29,;1.45,5.06,;1.09,-.63,;2.6,-.31,;3.63,-1.46,;5.13,-1.14,;6.16,-2.28,;5.69,-3.75,;4.18,-4.07,;3.71,-5.53,;3.15,-2.92,;1.64,-3.24,;1.17,-4.71,;.61,-2.1,;-.89,-2.42,;-1.73,-3.71,;-3.02,-2.87,;-2.18,-1.58,;-4.53,-3.19,;-5,-4.66,;-5.48,-6.12,;-6.47,-4.18,;-3.54,-5.13,)|
Show InChI InChI=1S/C23H24ClN7O4S/c1-12(27-22(32)19-20(25)28-30-8-4-7-26-21(19)30)17-9-13-5-3-6-16(24)18(13)23(33)31(17)15-10-14(11-15)29-36(2,34)35/h3-9,12,14-15,29H,10-11H2,1-2H3,(H2,25,28)(H,27,32)/t12-,14?,15?/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338882
PNG
(US9751888, Compound 73 | US9751888, Compound 83)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1C |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-7-3-4-10-18(14)32-19(13-16-8-5-9-17(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-12-6-11-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338882
PNG
(US9751888, Compound 73 | US9751888, Compound 83)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1C |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-7-3-4-10-18(14)32-19(13-16-8-5-9-17(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-12-6-11-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338883
PNG
(US9751888, Compound 74)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-6-3-8-17(12-14)32-19(13-16-7-4-9-18(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-11-5-10-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338884
PNG
(US9751888, Compound 75)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-7-9-17(10-8-14)32-19(13-16-5-3-6-18(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-12-4-11-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338885
PNG
(US9751888, Compound 76)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Show InChI InChI=1S/C23H18ClN7O2/c1-13(28-22(32)19-20(25)29-30-10-4-9-27-21(19)30)17-11-14-5-2-7-16(24)18(14)23(33)31(17)15-6-3-8-26-12-15/h2-13H,1H3,(H2,25,29)(H,28,32)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338887
PNG
(US9751888, Compound 78)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1NS(C)(=O)=O |r,wD:1.0,(-1.84,.63,;-.33,.95,;.14,2.41,;-.89,3.56,;-2.39,3.24,;-.41,5.02,;-1.32,6.27,;-2.86,6.27,;-.41,7.52,;1.05,7.04,;2.39,7.81,;3.72,7.04,;3.72,5.5,;2.39,4.73,;1.05,5.5,;.7,-.19,;2.2,.13,;3.23,-1.02,;4.74,-.7,;5.77,-1.84,;5.29,-3.31,;3.79,-3.63,;3.31,-5.09,;2.76,-2.48,;1.25,-2.8,;.78,-4.27,;.22,-1.66,;-1.29,-1.98,;-2.32,-.83,;-3.82,-1.16,;-4.3,-2.62,;-3.27,-3.76,;-1.76,-3.44,;-.73,-4.59,;-1.21,-6.05,;-1.68,-7.52,;-2.67,-5.58,;.26,-6.53,)|
Show InChI InChI=1S/C25H22ClN7O4S/c1-14(29-24(34)21-22(27)30-32-12-6-11-28-23(21)32)19-13-15-7-5-8-16(26)20(15)25(35)33(19)18-10-4-3-9-17(18)31-38(2,36)37/h3-14,31H,1-2H3,(H2,27,30)(H,29,34)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338888
PNG
(US9751888, Compound 79)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C25H22ClN7O4S/c1-14(29-24(34)21-22(27)30-32-11-5-10-28-23(21)32)19-12-15-6-3-9-18(26)20(15)25(35)33(19)17-8-4-7-16(13-17)31-38(2,36)37/h3-14,31H,1-2H3,(H2,27,30)(H,29,34)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338888
PNG
(US9751888, Compound 79)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C25H22ClN7O4S/c1-14(29-24(34)21-22(27)30-32-11-5-10-28-23(21)32)19-12-15-6-3-9-18(26)20(15)25(35)33(19)17-8-4-7-16(13-17)31-38(2,36)37/h3-14,31H,1-2H3,(H2,27,30)(H,29,34)/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338893
PNG
(US9751888, Compound 84)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
Show InChI InChI=1S/C24H18ClFN6O2/c1-13(29-23(33)20-21(27)30-31-11-5-10-28-22(20)31)18-12-14-6-4-7-15(25)19(14)24(34)32(18)17-9-3-2-8-16(17)26/h2-13H,1H3,(H2,27,30)(H,29,33)/t13-/m0/s1
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n/an/a 300n/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338893
PNG
(US9751888, Compound 84)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
Show InChI InChI=1S/C24H18ClFN6O2/c1-13(29-23(33)20-21(27)30-31-11-5-10-28-22(20)31)18-12-14-6-4-7-15(25)19(14)24(34)32(18)17-9-3-2-8-16(17)26/h2-13H,1H3,(H2,27,30)(H,29,33)/t13-/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338879
PNG
(US9751888, Compound 70)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-11-3-10-27-22(20)30)18-12-14-4-2-5-17(25)19(14)24(34)31(18)15-6-8-16(32)9-7-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/m0/s1
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n/an/a 300n/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 US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
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