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Patent code US10221197

Compile Data Set for Download or QSAR

Found 528 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362018
PNG
(US10221197, Compound 12 | rrr)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C24H19Cl2N9O2/c25-14-6-7-15(26)18-16(14)23(37)35(12-3-1-2-11(8-12)20(29)36)22(32-18)17(10-4-5-10)31-21-13(9-27)19(28)33-24(30)34-21/h1-3,6-8,10,17H,4-5H2,(H2,29,36)(H5,28,30,31,33,34)/t17-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362014
PNG
(US10221197, Compound 8 | rrr)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H20ClN9O2/c1-2-15(29-20-13(10-25)18(26)31-23(28)32-20)21-30-16-8-4-7-14(24)17(16)22(35)33(21)12-6-3-5-11(9-12)19(27)34/h3-9,15H,2H2,1H3,(H2,27,34)(H5,26,28,29,31,32)/t15-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362026
PNG
(US10221197, Compound 19 | US10221197, Compound 39 ...)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H19Cl3N8O2/c1-2-13(29-19-15(25)17(26)31-22(28)32-19)20-30-16-12(24)7-6-11(23)14(16)21(35)33(20)10-5-3-4-9(8-10)18(27)34/h3-8,13H,2H2,1H3,(H2,27,34)(H5,26,28,29,31,32)/t13-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362008
PNG
(US10221197, Compound 2 | rrr)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H18ClN9O2/c1-10(28-19-13(9-24)17(25)30-22(27)31-19)20-29-15-7-3-6-14(23)16(15)21(34)32(20)12-5-2-4-11(8-12)18(26)33/h2-8,10H,1H3,(H2,26,33)(H5,25,27,28,30,31)/t10-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362025
PNG
(US10221197, Compound 18 | US10221197, Compound 38 ...)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H19Cl2N9O2/c1-2-15(30-20-12(9-26)18(27)32-23(29)33-20)21-31-17-14(25)7-6-13(24)16(17)22(36)34(21)11-5-3-4-10(8-11)19(28)35/h3-8,15H,2H2,1H3,(H2,28,35)(H5,27,29,30,32,33)/t15-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362020
PNG
(US10221197, Compound 13 | rrr)
Show SMILES Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2-c2cccc(c2)C(N)=O)c1C#N
Show InChI InChI=1S/C25H20Cl2N8O2/c1-11-15(10-28)22(34-25(30)31-11)32-19(12-5-6-12)23-33-20-17(27)8-7-16(26)18(20)24(37)35(23)14-4-2-3-13(9-14)21(29)36/h2-4,7-9,12,19H,5-6H2,1H3,(H2,29,36)(H3,30,31,32,34)/t19-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362015
PNG
(US10221197, Compound 9 | rrr)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C24H20ClN9O2/c25-15-5-2-6-16-17(15)23(36)34(13-4-1-3-12(9-13)20(28)35)22(30-16)18(11-7-8-11)31-21-14(10-26)19(27)32-24(29)33-21/h1-6,9,11,18H,7-8H2,(H2,28,35)(H5,27,29,31,32,33)/t18-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362027
PNG
(US10221197, Compound 20 | US10221197, Compound 40 ...)
Show SMILES CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H21Cl2N9O2/c1-2-4-16(31-21-13(10-27)19(28)33-24(30)34-21)22-32-18-15(26)8-7-14(25)17(18)23(37)35(22)12-6-3-5-11(9-12)20(29)36/h3,5-9,16H,2,4H2,1H3,(H2,29,36)(H5,28,30,31,33,34)/t16-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362007
PNG
(US10221197, Compound 1 | rrr)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H18Cl2N8O2/c1-9(27-18-15(23)16(24)29-21(26)30-18)19-28-13-7-3-6-12(22)14(13)20(33)31(19)11-5-2-4-10(8-11)17(25)32/h2-9H,1H3,(H2,25,32)(H5,24,26,27,29,30)/t9-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362029
PNG
(US10221197, Compound 22 | rrr)
Show SMILES CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H22ClN9O2/c1-2-5-17(30-21-14(11-26)19(27)32-24(29)33-21)22-31-16-9-4-8-15(25)18(16)23(36)34(22)13-7-3-6-12(10-13)20(28)35/h3-4,6-10,17H,2,5H2,1H3,(H2,28,35)(H5,27,29,30,32,33)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362048
PNG
((S)-3-(5,8-dichloro-2-(1-((2,6-diamino-5-cyanopyri...)
Show SMILES CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1C#N)[C@@H](C)CC
Show InChI InChI=1S/C27H28ClN9O2/c1-4-15(3)22(36-24-18(13-29)23(30)32-14-33-24)25-35-20-11-7-10-19(28)21(20)26(38)37(25)17-9-6-8-16(12-17)34-27(39)31-5-2/h6-12,14-15,22H,4-5H2,1-3H3,(H2,31,34,39)(H3,30,32,33,36)/t15-,22-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362040
PNG
((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(C(F)F)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H21ClF2N8O2/c1-2-13(30-20-16(24)18(27)32-23(29)33-20)21-31-14-8-4-7-12(17(25)26)15(14)22(36)34(21)11-6-3-5-10(9-11)19(28)35/h3-9,13,17H,2H2,1H3,(H2,28,35)(H5,27,29,30,32,33)/t13-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362009
PNG
(US10221197, Compound 3 | rrr)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H17Cl2N9O2/c1-9(29-19-12(8-25)17(26)31-22(28)32-19)20-30-16-14(24)6-5-13(23)15(16)21(35)33(20)11-4-2-3-10(7-11)18(27)34/h2-7,9H,1H3,(H2,27,34)(H5,26,28,29,31,32)/t9-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362087
PNG
((S)—N-((3-(5-chloro-4-oxo-2-(1-(thiazolo[5,4-...)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C25H22ClN9O4S/c1-13(31-22-17(11-27)21(28)29-12-30-22)23-33-19-7-3-6-18(26)20(19)24(36)35(23)15-5-2-4-14(10-15)32-25(37)34-40(38,39)16-8-9-16/h2-7,10,12-13,16H,8-9H2,1H3,(H2,32,34,37)(H3,28,29,30,31)/t13-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362099
PNG
((S)-1-(3-(2-(1-((6-amino-5-(pyridin-2-yl)ethynyl)p...)
Show SMILES CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(C)nc(N)n1
Show InChI InChI=1S/C23H24ClN9O2/c1-4-26-23(35)30-14-7-5-8-15(11-14)33-19(12(2)27-22-29-13(3)28-21(25)32-22)31-17-10-6-9-16(24)18(17)20(33)34/h5-12H,4H2,1-3H3,(H2,26,30,35)(H3,25,27,28,29,32)/t12-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362013
PNG
(US10221197, Compound 7 | rrr)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H20Cl2N8O2/c1-2-13(28-19-16(24)17(25)30-22(27)31-19)20-29-14-8-4-7-12(23)15(14)21(34)32(20)11-6-3-5-10(9-11)18(26)33/h3-9,13H,2H2,1H3,(H2,26,33)(H5,25,27,28,30,31)/t13-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362036
PNG
((S)-3-(8-chloro-2-(1-((2,6-diamino-5-cyanopyrimidi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H17Cl2FN8O2/c1-8(28-18-14(23)16(25)30-21(27)31-18)19-29-15-12(6-10(24)7-13(15)22)20(34)32(19)11-4-2-3-9(5-11)17(26)33/h2-8H,1H3,(H2,26,33)(H5,25,27,28,30,31)/t8-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362010
PNG
(US10221197, Compound 4 | rrr)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H17Cl3N8O2/c1-8(28-18-14(24)16(25)30-21(27)31-18)19-29-15-12(23)6-5-11(22)13(15)20(34)32(19)10-4-2-3-9(7-10)17(26)33/h2-8H,1H3,(H2,26,33)(H5,25,27,28,30,31)/t8-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362032
PNG
((S)-3-(2-(1-((2-amino-5-cyano-6-(difluoromethyl)py...)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H16ClF3N8O2/c1-9(31-20-14(8-28)17(18(26)27)33-23(30)34-20)21-32-16-13(6-11(25)7-15(16)24)22(37)35(21)12-4-2-3-10(5-12)19(29)36/h2-7,9,18H,1H3,(H2,29,36)(H3,30,31,33,34)/t9-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362169
PNG
((S)-5-(5-chloro-2-(cyclopropyl((2,6-diamino-5-chlo...)
Show SMILES NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C23H19ClN10O2/c24-14-2-1-3-15-16(14)22(36)34(12-6-11(19(27)35)8-29-9-12)21(30-15)17(10-4-5-10)31-20-13(7-25)18(26)32-23(28)33-20/h1-3,6,8-10,17H,4-5H2,(H2,27,35)(H5,26,28,31,32,33)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362016
PNG
(US10221197, Compound 10 | rrr)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1
Show InChI InChI=1S/C23H20Cl2N8O2/c24-13-5-2-6-14-15(13)22(35)33(12-4-1-3-11(9-12)19(27)34)21(29-14)17(10-7-8-10)30-20-16(25)18(26)31-23(28)32-20/h1-6,9-10,17H,7-8H2,(H2,27,34)(H5,26,28,30,31,32)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362022
PNG
(US10221197, Compound 15 | rrr)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C24H19ClFN9O2/c25-14-6-7-15(26)18-16(14)23(37)35(12-3-1-2-11(8-12)20(29)36)22(32-18)17(10-4-5-10)31-21-13(9-27)19(28)33-24(30)34-21/h1-3,6-8,10,17H,4-5H2,(H2,29,36)(H5,28,30,31,33,34)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362025
PNG
(US10221197, Compound 18 | US10221197, Compound 38 ...)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H19Cl2N9O2/c1-2-15(30-20-12(9-26)18(27)32-23(29)33-20)21-31-17-14(25)7-6-13(24)16(17)22(36)34(21)11-5-3-4-10(8-11)19(28)35/h3-8,15H,2H2,1H3,(H2,28,35)(H5,27,29,30,32,33)/t15-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM362107
PNG
((S)-1-(3-(2-(1-((6-amino-5-cyanopyrimidin-4-yl)ami...)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C29H21ClF3N9O2/c1-15(38-25-18(13-34)24(35)36-14-37-25)26-40-22-11-5-9-20(30)23(22)27(43)42(26)17-7-4-6-16(12-17)39-28(44)41-21-10-3-2-8-19(21)29(31,32)33/h2-12,14-15H,1H3,(H2,39,41,44)(H3,35,36,37,38)/t15-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362021
PNG
(US10221197, Compound 14 | rrr)
Show SMILES Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccc(c2)C(N)=O)c1C#N
Show InChI InChI=1S/C25H20ClFN8O2/c1-11-15(10-28)22(34-25(30)31-11)32-19(12-5-6-12)23-33-20-17(27)8-7-16(26)18(20)24(37)35(23)14-4-2-3-13(9-14)21(29)36/h2-4,7-9,12,19H,5-6H2,1H3,(H2,29,36)(H3,30,31,32,34)/t19-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362031
PNG
((S)-3-(2-(1-((2-amino-5-cyano-6-(difluoromethyl)py...)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H17ClF2N8O2/c1-10(30-20-13(9-27)17(18(25)26)32-23(29)33-20)21-31-15-7-3-6-14(24)16(15)22(36)34(21)12-5-2-4-11(8-12)19(28)35/h2-8,10,18H,1H3,(H2,28,35)(H3,29,30,32,33)/t10-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362042
PNG
((S)-3-(2-(cyclopropyl((2,6-diamino-5-cyanopyrimidi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(cccc2c(=O)n1-c1cccc(c1)C(N)=O)C#N
Show InChI InChI=1S/C22H18ClN9O2/c1-10(28-19-15(23)17(25)30-22(27)31-19)20-29-16-12(9-24)5-3-7-14(16)21(34)32(20)13-6-2-4-11(8-13)18(26)33/h2-8,10H,1H3,(H2,26,33)(H5,25,27,28,30,31)/t10-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362168
PNG
((S)-3-(5-chloro-2-(cyclopropyl((2,6-diamino-5-chlo...)
Show SMILES NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1
Show InChI InChI=1S/C22H19Cl2N9O2/c23-12-2-1-3-13-14(12)21(35)33(11-6-10(18(26)34)7-28-8-11)20(29-13)16(9-4-5-9)30-19-15(24)17(25)31-22(27)32-19/h1-3,6-9,16H,4-5H2,(H2,26,34)(H5,25,27,30,31,32)/t16-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362167
PNG
((S)-3-(5-chloro-2-(cyclopropyl((2,6-diamino-5-cyan...)
Show SMILES NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1
Show InChI InChI=1S/C23H19Cl2FN8O2/c24-13-2-1-3-14-15(13)22(36)34(12-7-10(19(28)35)6-11(26)8-12)21(30-14)17(9-4-5-9)31-20-16(25)18(27)32-23(29)33-20/h1-3,6-9,17H,4-5H2,(H2,28,35)(H5,27,29,31,32,33)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362024
PNG
(US10221197, Compound 17 | rrr)
Show SMILES Cc1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C16H11Cl2N3O2/c1-8-20-14-12(18)6-5-11(17)13(14)16(23)21(8)10-4-2-3-9(7-10)15(19)22/h2-7H,1H3,(H2,19,22)
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362052
PNG
((S)-1-(3-(2-(1-((6-amino-5-cyanopyrimidin-4-yl)ami...)
Show SMILES CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(CC=C)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N
Show InChI InChI=1S/C27H27N9O2/c1-4-8-17-9-6-12-21-22(17)26(37)36(19-11-7-10-18(13-19)34-27(38)30-5-2)25(35-21)16(3)33-24-20(14-28)23(29)31-15-32-24/h4,6-7,9-13,15-16H,1,5,8H2,2-3H3,(H2,30,34,38)(H3,29,31,32,33)/t16-/m0/s1
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US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362095
PNG
((S)-1-(3-(2-(1-((6-amino-5-cyanopyrimidin-4-yl)ami...)
Show SMILES CNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N
Show InChI InChI=1S/C23H20ClN9O2/c1-12(30-20-15(10-25)19(26)28-11-29-20)21-32-17-8-4-7-16(24)18(17)22(34)33(21)14-6-3-5-13(9-14)31-23(35)27-2/h3-9,11-12H,1-2H3,(H2,27,31,35)(H3,26,28,29,30)/t12-/m0/s1
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US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362116
PNG
((S)-1-(3-(2-(1-((6-amino-5-cyanopyrimidin-4-yl)ami...)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C29H21F4N9O2/c1-15(38-25-18(13-34)24(35)36-14-37-25)26-40-22-11-5-9-20(30)23(22)27(43)42(26)17-7-4-6-16(12-17)39-28(44)41-21-10-3-2-8-19(21)29(31,32)33/h2-12,14-15H,1H3,(H2,39,41,44)(H3,35,36,37,38)/t15-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362162
PNG
(1-(3-(5-chloro-4-oxo-2-(1-(thiazolo[5,4-d]pyrimidi...)
Show SMILES C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC2OCCO2)c1
Show InChI InChI=1S/C26H22ClN7O5S/c1-14(39-23-21-24(30-12-29-23)40-13-31-21)22-33-18-7-3-6-17(27)20(18)25(35)34(22)16-5-2-4-15(10-16)32-26(36)28-11-19-37-8-9-38-19/h2-7,10,12-14,19H,8-9,11H2,1H3,(H2,28,32,36)/t14-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM362167
PNG
((S)-3-(5-chloro-2-(cyclopropyl((2,6-diamino-5-cyan...)
Show SMILES NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1
Show InChI InChI=1S/C23H19Cl2FN8O2/c24-13-2-1-3-14-15(13)22(36)34(12-7-10(19(28)35)6-11(26)8-12)21(30-14)17(9-4-5-9)31-20-16(25)18(27)32-23(29)33-20/h1-3,6-9,17H,4-5H2,(H2,28,35)(H5,27,29,31,32,33)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM362169
PNG
((S)-5-(5-chloro-2-(cyclopropyl((2,6-diamino-5-chlo...)
Show SMILES NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C23H19ClN10O2/c24-14-2-1-3-15-16(14)22(36)34(12-6-11(19(27)35)8-29-9-12)21(30-15)17(10-4-5-10)31-20-13(7-25)18(26)32-23(28)33-20/h1-3,6,8-10,17H,4-5H2,(H2,27,35)(H5,26,28,31,32,33)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362011
PNG
(US10221197, Compound 5 | US10221197, Compound 6 | ...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(C(N)=O)c1C
Show InChI InChI=1S/C23H20ClN9O2/c1-10-12(19(27)34)5-3-8-16(10)33-21(30-15-7-4-6-14(24)17(15)22(33)35)11(2)29-20-13(9-25)18(26)31-23(28)32-20/h3-8,11H,1-2H3,(H2,27,34)(H5,26,28,29,31,32)/t11-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM362015
PNG
(US10221197, Compound 9 | rrr)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C24H20ClN9O2/c25-15-5-2-6-16-17(15)23(36)34(13-4-1-3-12(9-13)20(28)35)22(30-16)18(11-7-8-11)31-21-14(10-26)19(27)32-24(29)33-21/h1-6,9,11,18H,7-8H2,(H2,28,35)(H5,27,29,31,32,33)/t18-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362086
PNG
((S)—N-((3-(2-(1-((6-amino-5-cyanopyrimidin-4-...)
Show SMILES C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CCCC2)c1
Show InChI InChI=1S/C27H25ClN8O4S2/c1-15(32-23-22-25(30-13-29-23)41-14-31-22)24-34-20-11-5-10-19(28)21(20)26(37)36(24)17-7-4-6-16(12-17)33-27(38)35-42(39,40)18-8-2-3-9-18/h4-7,10-15,18H,2-3,8-9H2,1H3,(H,29,30,32)(H2,33,35,38)/t15-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362038
PNG
((S)-3-(8-cyano-2-(1-((2,6-diamino-5-cyanopyrimidin...)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2c(cc(F)cc2c1=O)C#N)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C25H19FN10O2/c26-14-6-13(9-27)18-16(8-14)24(38)36(15-3-1-2-12(7-15)21(30)37)23(33-18)19(11-4-5-11)32-22-17(10-28)20(29)34-25(31)35-22/h1-3,6-8,11,19H,4-5H2,(H2,30,37)(H5,29,31,32,34,35)/t19-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362088
PNG
((S)—N-((3-(2-(1-((6-amino-5-cyanopyrimidin-4-...)
Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)NCC3OCCO3)c2)c1C#N
Show InChI InChI=1S/C28H26ClN9O4/c29-19-6-2-7-20-23(19)27(39)38(17-5-1-4-16(12-17)35-28(40)32-14-22-41-10-11-42-22)26(36-20)21-8-3-9-37(21)25-18(13-30)24(31)33-15-34-25/h1-2,4-7,12,15,21-22H,3,8-11,14H2,(H2,31,33,34)(H2,32,35,40)/t21-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM362110
PNG
((S)-1-(3-(2-(1-((6-amino-5-cyanopyrimidin-4-yl)ami...)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C28H20Cl3N9O2/c1-14(36-25-23-24(33-12-32-23)34-13-35-25)26-38-20-10-4-7-17(29)21(20)27(41)40(26)16-6-2-5-15(11-16)37-28(42)39-22-18(30)8-3-9-19(22)31/h2-14H,1H3,(H2,37,39,42)(H2,32,33,34,35,36)/t14-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM362123
PNG
((S)-1-(3-(2-(1-((6-amino-5-cyanopyrimidin-4-yl)ami...)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCO)c1
Show InChI InChI=1S/C24H22ClN9O3/c1-13(31-21-16(11-26)20(27)29-12-30-21)22-33-18-7-3-6-17(25)19(18)23(36)34(22)15-5-2-4-14(10-15)32-24(37)28-8-9-35/h2-7,10,12-13,35H,8-9H2,1H3,(H2,28,32,37)(H3,27,29,30,31)/t13-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362162
PNG
(1-(3-(5-chloro-4-oxo-2-(1-(thiazolo[5,4-d]pyrimidi...)
Show SMILES C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC2OCCO2)c1
Show InChI InChI=1S/C26H22ClN7O5S/c1-14(39-23-21-24(30-12-29-23)40-13-31-21)22-33-18-7-3-6-17(27)20(18)25(35)34(22)16-5-2-4-15(10-16)32-26(36)28-11-19-37-8-9-38-19/h2-7,10,12-14,19H,8-9,11H2,1H3,(H2,28,32,36)/t14-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362169
PNG
((S)-5-(5-chloro-2-(cyclopropyl((2,6-diamino-5-chlo...)
Show SMILES NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1
Show InChI InChI=1S/C23H19ClN10O2/c24-14-2-1-3-15-16(14)22(36)34(12-6-11(19(27)35)8-29-9-12)21(30-15)17(10-4-5-10)31-20-13(7-25)18(26)32-23(28)33-20/h1-3,6,8-10,17H,4-5H2,(H2,27,35)(H5,26,28,31,32,33)/t17-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362077
PNG
(US10221197, Compound 70)
Show SMILES CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Oc1ncnc(N)c1C#N
Show InChI InChI=1S/C24H21ClN8O3/c1-3-28-24(35)31-14-6-4-7-15(10-14)33-21(32-18-9-5-8-17(25)19(18)23(33)34)13(2)36-22-16(11-26)20(27)29-12-30-22/h4-10,12-13H,3H2,1-2H3,(H2,27,29,30)(H2,28,31,35)/t13-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362023
PNG
(US10221197, Compound 16 | rrr)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1
Show InChI InChI=1S/C23H19Cl2FN8O2/c24-12-6-7-13(26)17-14(12)22(36)34(11-3-1-2-10(8-11)19(28)35)21(31-17)16(9-4-5-9)30-20-15(25)18(27)32-23(29)33-20/h1-3,6-9,16H,4-5H2,(H2,28,35)(H5,27,29,30,32,33)/t16-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362034
PNG
((S)-3-(8-chloro-2-(cyclopropyl((2,6-diamino-5-cyan...)
Show SMILES NC(=O)c1cccc(c1)-n1c(nc2c(Cl)cc(F)cc2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1
Show InChI InChI=1S/C23H19Cl2FN8O2/c24-14-8-11(26)7-13-17(14)31-21(34(22(13)36)12-3-1-2-10(6-12)19(28)35)16(9-4-5-9)30-20-15(25)18(27)32-23(29)33-20/h1-3,6-9,16H,4-5H2,(H2,28,35)(H5,27,29,30,32,33)/t16-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM362014
PNG
(US10221197, Compound 8 | rrr)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H20ClN9O2/c1-2-15(29-20-13(10-25)18(26)31-23(28)32-20)21-30-16-8-4-7-14(24)17(16)22(35)33(21)12-6-3-5-11(9-12)19(27)34/h3-9,15H,2H2,1H3,(H2,27,34)(H5,26,28,29,31,32)/t15-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM362030
PNG
((S)-3-(5-chloro-2-(1-((2,6-diamino-5-chloropyrimid...)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H16ClF3N8O2/c1-9(31-20-12(8-28)16(18(26)27)33-23(30)34-20)21-32-17-14(25)6-5-13(24)15(17)22(37)35(21)11-4-2-3-10(7-11)19(29)36/h2-7,9,18H,1H3,(H2,29,36)(H3,30,31,33,34)/t9-/m0/s1
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Gilead Sciences, Inc.

US Patent




US Patent US10221197 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%