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Patent code US10202339

Compile Data Set for Download or QSAR

Found 353 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
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339587
PNG
(US10202339, Compound 31)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2(CC2)C#N)c1
Show InChI InChI=1S/C22H17F3N4O3S2/c23-22(24,25)15-2-1-3-16(10-15)27-20(30)28-19-11-17(4-5-18(19)14-6-9-33-12-14)34(31,32)29-21(13-26)7-8-21/h1-6,9-12,29H,7-8H2,(H2,27,28,30)
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US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339588
PNG
(US10202339, Compound 32)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2COC2)c1
Show InChI InChI=1S/C21H18F3N3O4S2/c22-21(23,24)14-2-1-3-15(8-14)25-20(28)26-19-9-17(33(29,30)27-16-10-31-11-16)4-5-18(19)13-6-7-32-12-13/h1-9,12,16,27H,10-11H2,(H2,25,26,28)
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339601
PNG
(US10202339, Compound 45)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NC2COC2)c1
Show InChI InChI=1S/C23H20F3N3O4S/c24-23(25,26)16-7-4-8-17(11-16)27-22(30)28-21-12-19(34(31,32)29-18-13-33-14-18)9-10-20(21)15-5-2-1-3-6-15/h1-12,18,29H,13-14H2,(H2,27,28,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339749
PNG
(US10202339, Compound 194)
Show SMILES CCSc1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C18H17F6N3O3S2/c1-2-31-15-7-6-13(32(29,30)25-10-17(19,20)21)9-14(15)27-16(28)26-12-5-3-4-11(8-12)18(22,23)24/h3-9,25H,2,10H2,1H3,(H2,26,27,28)
PDB

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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339752
PNG
(US10202339, Compound 197)
Show SMILES FC(F)(F)CNS(=O)(=O)c1cnc(OCC2CC2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H18F6N4O4S/c20-18(21,22)10-27-34(31,32)14-7-15(16(26-8-14)33-9-11-4-5-11)29-17(30)28-13-3-1-2-12(6-13)19(23,24)25/h1-3,6-8,11,27H,4-5,9-10H2,(H2,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339751
PNG
(US10202339, Compound 196)
Show SMILES CCS(=O)(=O)c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C18H17F6N3O5S2/c1-2-33(29,30)15-7-6-13(34(31,32)25-10-17(19,20)21)9-14(15)27-16(28)26-12-5-3-4-11(8-12)18(22,23)24/h3-9,25H,2,10H2,1H3,(H2,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339733
PNG
(US10202339, Compound 177)
Show SMILES CCOc1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C18H17F6N3O4S/c1-2-31-15-7-6-13(32(29,30)25-10-17(19,20)21)9-14(15)27-16(28)26-12-5-3-4-11(8-12)18(22,23)24/h3-9,25H,2,10H2,1H3,(H2,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339734
PNG
(US10202339, Compound 178)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(OC2CCOCC2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F6N3O5S/c22-20(23,24)12-28-36(32,33)16-4-5-18(35-15-6-8-34-9-7-15)17(11-16)30-19(31)29-14-3-1-2-13(10-14)21(25,26)27/h1-5,10-11,15,28H,6-9,12H2,(H2,29,30,31)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339735
PNG
(US10202339, Compound 179)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2OCC2CC2)S(=O)(=O)NC2(CC2)C#N)c1
Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)15-2-1-3-16(10-15)27-20(30)28-18-11-17(6-7-19(18)33-12-14-4-5-14)34(31,32)29-21(13-26)8-9-21/h1-3,6-7,10-11,14,29H,4-5,8-9,12H2,(H2,27,28,30)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339741
PNG
(US10202339, Compound 186)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(Oc2cccnc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H16F6N4O4S/c22-20(23,24)12-29-36(33,34)16-6-7-18(35-15-5-2-8-28-11-15)17(10-16)31-19(32)30-14-4-1-3-13(9-14)21(25,26)27/h1-11,29H,12H2,(H2,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339560
PNG
(US10202339, Compound 4)
Show SMILES CCc1ccccc1NC(=O)Nc1cc(ccc1-c1ccsc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H23N3O3S2/c1-2-18-8-6-7-11-23(18)26-25(29)27-24-16-21(12-13-22(24)19-14-15-32-17-19)33(30,31)28-20-9-4-3-5-10-20/h3-17,28H,2H2,1H3,(H2,26,27,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339562
PNG
(US10202339, Compound 6)
Show SMILES COc1ccccc1NC(=O)Nc1cc(ccc1-c1ccsc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H21N3O4S2/c1-31-23-10-6-5-9-21(23)25-24(28)26-22-15-19(11-12-20(22)17-13-14-32-16-17)33(29,30)27-18-7-3-2-4-8-18/h2-16,27H,1H3,(H2,25,26,28)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339624
PNG
(US10202339, Compound 68)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H16F5N3O3S/c22-14-6-9-18(17(23)10-14)28-20(30)29-19-11-15(33(31,32)27-12-21(24,25)26)7-8-16(19)13-4-2-1-3-5-13/h1-11,27H,12H2,(H2,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339639
PNG
(US10202339, Compound 84)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2cnccc2C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C21H16F6N4O3S/c22-20(23,24)12-29-35(33,34)14-6-7-15(13-4-2-1-3-5-13)17(10-14)30-19(32)31-18-11-28-9-8-16(18)21(25,26)27/h1-11,29H,12H2,(H2,30,31,32)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339661
PNG
(US10202339, Compound 106)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2nccc(n2)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C20H15F6N5O3S/c21-19(22,23)11-28-35(33,34)13-6-7-14(12-4-2-1-3-5-12)15(10-13)29-18(32)31-17-27-9-8-16(30-17)20(24,25)26/h1-10,28H,11H2,(H2,27,29,30,31,32)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339663
PNG
(US10202339, Compound 108)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)n2ccc3ccccc23)c1)-c1ccccc1
Show InChI InChI=1S/C23H18F3N3O3S/c24-23(25,26)15-27-33(31,32)18-10-11-19(16-6-2-1-3-7-16)20(14-18)28-22(30)29-13-12-17-8-4-5-9-21(17)29/h1-14,27H,15H2,(H,28,30)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339670
PNG
(US10202339, Compound 115)
Show SMILES CC(C)NS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H20F3N3O3S2/c1-13(2)27-32(29,30)17-6-7-18(14-8-9-31-12-14)19(11-17)26-20(28)25-16-5-3-4-15(10-16)21(22,23)24/h3-13,27H,1-2H3,(H2,25,26,28)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339673
PNG
(US10202339, Compound 118)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-21(2,3)28-33(30,31)17-7-8-18(14-9-10-32-13-14)19(12-17)27-20(29)26-16-6-4-5-15(11-16)22(23,24)25/h4-13,28H,1-3H3,(H2,26,27,29)
PDB

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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339682
PNG
(US10202339, Compound 127)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCC2CC2)c1
Show InChI InChI=1S/C22H20F3N3O3S2/c23-22(24,25)16-2-1-3-17(10-16)27-21(29)28-20-11-18(33(30,31)26-12-14-4-5-14)6-7-19(20)15-8-9-32-13-15/h1-3,6-11,13-14,26H,4-5,12H2,(H2,27,28,29)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339684
PNG
(US10202339, Compound 129)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCC2CCCC2)c1
Show InChI InChI=1S/C24H24F3N3O3S2/c25-24(26,27)18-6-3-7-19(12-18)29-23(31)30-22-13-20(8-9-21(22)17-10-11-34-15-17)35(32,33)28-14-16-4-1-2-5-16/h3,6-13,15-16,28H,1-2,4-5,14H2,(H2,29,30,31)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339693
PNG
(US10202339, Compound 138)
Show SMILES CONS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H16F3N3O4S2/c1-29-25-31(27,28)15-5-6-16(12-7-8-30-11-12)17(10-15)24-18(26)23-14-4-2-3-13(9-14)19(20,21)22/h2-11,25H,1H3,(H2,23,24,26)
PDB

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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339716
PNG
(US10202339, Compound 161)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2C2=CCOCC2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C25H22F3N3O4S/c26-25(27,28)18-5-4-8-20(15-18)29-24(32)30-23-16-21(9-10-22(23)17-11-13-35-14-12-17)36(33,34)31-19-6-2-1-3-7-19/h1-11,15-16,31H,12-14H2,(H2,29,30,32)
PDB

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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339718
PNG
(US10202339, Compound 163)
Show SMILES Clc1cccc(NC(=O)Nc2cc(ccc2C2CCCCO2)S(=O)(=O)NCC2CC2)c1
Show InChI InChI=1S/C22H26ClN3O4S/c23-16-4-3-5-17(12-16)25-22(27)26-20-13-18(31(28,29)24-14-15-7-8-15)9-10-19(20)21-6-1-2-11-30-21/h3-5,9-10,12-13,15,21,24H,1-2,6-8,11,14H2,(H2,25,26,27)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339723
PNG
(US10202339, Compound 168)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C20H21ClF3N3O4S/c21-13-4-3-5-14(10-13)26-19(28)27-17-11-15(32(29,30)25-12-20(22,23)24)7-8-16(17)18-6-1-2-9-31-18/h3-5,7-8,10-11,18,25H,1-2,6,9,12H2,(H2,26,27,28)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339739
PNG
(US10202339, Compound 184)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(OCC2CCOC2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F6N3O5S/c22-20(23,24)12-28-36(32,33)16-4-5-18(35-11-13-6-7-34-10-13)17(9-16)30-19(31)29-15-3-1-2-14(8-15)21(25,26)27/h1-5,8-9,13,28H,6-7,10-12H2,(H2,29,30,31)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339750
PNG
(US10202339, Compound 195)
Show SMILES CCS(=O)c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C18H17F6N3O4S2/c1-2-32(29)15-7-6-13(33(30,31)25-10-17(19,20)21)9-14(15)27-16(28)26-12-5-3-4-11(8-12)18(22,23)24/h3-9,25H,2,10H2,1H3,(H2,26,27,28)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339754
PNG
(US10202339, Compound 199)
Show SMILES CCOc1ncc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NC1COC1
Show InChI InChI=1S/C18H19F3N4O5S/c1-2-30-16-15(7-14(8-22-16)31(27,28)25-13-9-29-10-13)24-17(26)23-12-5-3-4-11(6-12)18(19,20)21/h3-8,13,25H,2,9-10H2,1H3,(H2,23,24,26)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339757
PNG
(US10202339, Compound 202)
Show SMILES CCOc1ncc(cc1NC(=O)Nc1cc(ccn1)C(F)(F)F)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C16H15F6N5O4S/c1-2-31-13-11(6-10(7-24-13)32(29,30)25-8-15(17,18)19)26-14(28)27-12-5-9(3-4-23-12)16(20,21)22/h3-7,25H,2,8H2,1H3,(H2,23,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339768
PNG
(US10202339, Compound 338)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(C#C)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6N3O3S/c1-2-11-6-7-14(31(29,30)25-10-17(19,20)21)9-15(11)27-16(28)26-13-5-3-4-12(8-13)18(22,23)24/h1,3-9,25H,10H2,(H2,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339674
PNG
(US10202339, Compound 119)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCC=C)c1
Show InChI InChI=1S/C21H18F3N3O3S2/c1-2-9-25-32(29,30)17-6-7-18(14-8-10-31-13-14)19(12-17)27-20(28)26-16-5-3-4-15(11-16)21(22,23)24/h2-8,10-13,25H,1,9H2,(H2,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339676
PNG
(US10202339, Compound 121)
Show SMILES COCCNS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H20F3N3O4S2/c1-31-9-8-25-33(29,30)17-5-6-18(14-7-10-32-13-14)19(12-17)27-20(28)26-16-4-2-3-15(11-16)21(22,23)24/h2-7,10-13,25H,8-9H2,1H3,(H2,26,27,28)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339681
PNG
(US10202339, Compound 126)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CCCC2)c1
Show InChI InChI=1S/C23H22F3N3O3S2/c24-23(25,26)16-4-3-7-18(12-16)27-22(30)28-21-13-19(8-9-20(21)15-10-11-33-14-15)34(31,32)29-17-5-1-2-6-17/h3-4,7-14,17,29H,1-2,5-6H2,(H2,27,28,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339685
PNG
(US10202339, Compound 130)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H15F6N3O3S2/c21-19(22,23)11-27-34(31,32)15-4-5-16(12-6-7-33-10-12)17(9-15)29-18(30)28-14-3-1-2-13(8-14)20(24,25)26/h1-10,27H,11H2,(H2,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339688
PNG
(US10202339, Compound 133)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCC2CCOCC2)c1
Show InChI InChI=1S/C24H24F3N3O4S2/c25-24(26,27)18-2-1-3-19(12-18)29-23(31)30-22-13-20(4-5-21(22)17-8-11-35-15-17)36(32,33)28-14-16-6-9-34-10-7-16/h1-5,8,11-13,15-16,28H,6-7,9-10,14H2,(H2,29,30,31)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339691
PNG
(US10202339, Compound 136)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C25H20F3N3O3S2/c26-25(27,28)19-7-4-8-20(13-19)30-24(32)31-23-14-21(9-10-22(23)18-11-12-35-16-18)36(33,34)29-15-17-5-2-1-3-6-17/h1-14,16,29H,15H2,(H2,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339711
PNG
(US10202339, Compound 156)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2C2=CCOCC2)S(=O)(=O)NCC2CC2)cc1C(F)(F)F
Show InChI InChI=1S/C23H23F4N3O4S/c24-20-6-3-16(11-19(20)23(25,26)27)29-22(31)30-21-12-17(35(32,33)28-13-14-1-2-14)4-5-18(21)15-7-9-34-10-8-15/h3-7,11-12,14,28H,1-2,8-10,13H2,(H2,29,30,31)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339730
PNG
(US10202339, Compound 352)
Show SMILES Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16Cl3N3O3S/c1-12-5-8-15(24-20(27)25-19-16(22)3-2-4-17(19)23)11-18(12)30(28,29)26-14-9-6-13(21)7-10-14/h2-11,26H,1H3,(H2,24,25,27)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339740
PNG
(US10202339, Compound 185)
Show SMILES CC(C)Oc1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C19H19F6N3O4S/c1-11(2)32-16-7-6-14(33(30,31)26-10-18(20,21)22)9-15(16)28-17(29)27-13-5-3-4-12(8-13)19(23,24)25/h3-9,11,26H,10H2,1-2H3,(H2,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339766
PNG
(US10202339, Compound 359)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2nccs2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C23H17F3N4O3S2/c24-23(25,26)15-5-4-8-17(13-15)28-22(31)29-20-14-18(9-10-19(20)21-27-11-12-34-21)35(32,33)30-16-6-2-1-3-7-16/h1-14,30H,(H2,28,29,31)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339559
PNG
(US10202339, Compound 3)
Show SMILES Cc1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H21N3O3S2/c1-17-6-5-9-20(14-17)25-24(28)26-23-15-21(10-11-22(23)18-12-13-31-16-18)32(29,30)27-19-7-3-2-4-8-19/h2-16,27H,1H3,(H2,25,26,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339563
PNG
(US10202339, Compound 7)
Show SMILES COc1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H21N3O4S2/c1-31-20-9-5-8-19(14-20)25-24(28)26-23-15-21(10-11-22(23)17-12-13-32-16-17)33(29,30)27-18-6-3-2-4-7-18/h2-16,27H,1H3,(H2,25,26,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339567
PNG
(US10202339, Compound 11)
Show SMILES Cc1ccc(C)c(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C25H23N3O3S2/c1-17-8-9-18(2)23(14-17)26-25(29)27-24-15-21(10-11-22(24)19-12-13-32-16-19)33(30,31)28-20-6-4-3-5-7-20/h3-16,28H,1-2H3,(H2,26,27,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339583
PNG
(US10202339, Compound 27)
Show SMILES Clc1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1Cl
Show InChI InChI=1S/C20H17Cl2N3O3S2/c21-16-2-1-3-17(19(16)22)23-20(26)24-18-10-14(30(27,28)25-13-4-5-13)6-7-15(18)12-8-9-29-11-12/h1-3,6-11,13,25H,4-5H2,(H2,23,24,26)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339584
PNG
(US10202339, Compound 28)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N3O3S2/c22-13-1-6-18(17(9-13)21(23,24)25)26-20(29)27-19-10-15(33(30,31)28-14-2-3-14)4-5-16(19)12-7-8-32-11-12/h1,4-11,14,28H,2-3H2,(H2,26,27,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339591
PNG
(US10202339, Compound 35)
Show SMILES Fc1ccccc1NC(=O)Nc1cc(ccc1-c1ccccc1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C22H20FN3O3S/c23-19-8-4-5-9-20(19)24-22(27)25-21-14-17(30(28,29)26-16-10-11-16)12-13-18(21)15-6-2-1-3-7-15/h1-9,12-14,16,26H,10-11H2,(H2,24,25,27)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339595
PNG
(US10202339, Compound 39)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C21H17F4N3O3S/c22-15-6-8-16(9-7-15)27-20(29)28-19-12-17(32(30,31)26-13-21(23,24)25)10-11-18(19)14-4-2-1-3-5-14/h1-12,26H,13H2,(H2,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339598
PNG
(US10202339, Compound 42)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2ccccc2Cl)c1)-c1ccccc1
Show InChI InChI=1S/C21H17ClF3N3O3S/c22-17-8-4-5-9-18(17)27-20(29)28-19-12-15(32(30,31)26-13-21(23,24)25)10-11-16(19)14-6-2-1-3-7-14/h1-12,26H,13H2,(H2,27,28,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339603
PNG
(US10202339, Compound 47)
Show SMILES Cc1cccc(c1)-c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NC1CCOCC1
Show InChI InChI=1S/C26H26F3N3O4S/c1-17-4-2-5-18(14-17)23-9-8-22(37(34,35)32-20-10-12-36-13-11-20)16-24(23)31-25(33)30-21-7-3-6-19(15-21)26(27,28)29/h2-9,14-16,20,32H,10-13H2,1H3,(H2,30,31,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339635
PNG
(US10202339, Compound 80)
Show SMILES OCc1cccc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N3O4S/c23-22(24,25)14-26-33(31,32)18-9-10-19(16-6-2-1-3-7-16)20(12-18)28-21(30)27-17-8-4-5-15(11-17)13-29/h1-12,26,29H,13-14H2,(H2,27,28,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339645
PNG
(US10202339, Compound 90)
Show SMILES Fc1ccc(Cl)c(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H16ClF4N3O3S/c22-17-9-6-14(23)10-19(17)29-20(30)28-18-11-15(33(31,32)27-12-21(24,25)26)7-8-16(18)13-4-2-1-3-5-13/h1-11,27H,12H2,(H2,28,29,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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