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Compile Data Set for Download or QSAR

Found 262 hits of ph data with Target = 'IDH2(R140Q)'   
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))
BDBM279854
PNG
(US10028961, Compound 1 | US10172864, Compound 1)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2)nc(NCC2CC2)n1
Show InChI InChI=1S/C17H19F3N6/c18-17(19,20)13-3-1-2-12(23-13)14-24-15(21-8-10-4-5-10)26-16(25-14)22-9-11-6-7-11/h1-3,10-11H,4-9H2,(H2,21,22,24,25,26)
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n/an/a<50n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279855
PNG
(US10028961, Compound 2 | US10172864, Compound 2)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279857
PNG
(BDBM279926 | US10028961, Compound 4 | US10172864, ...)
Show SMILES CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279860
PNG
(US10028961, Compound 7 | US10172864, Compound 7)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CCC2)nc(NCC2CCC2)n1
Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)15-9-3-8-14(25-15)16-26-17(23-10-12-4-1-5-12)28-18(27-16)24-11-13-6-2-7-13/h3,8-9,12-13H,1-2,4-7,10-11H2,(H2,23,24,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279861
PNG
(US10028961, Compound 78 | US10028961, Compound 8 |...)
Show SMILES COc1ccc(F)c(c1)-c1nc(N[C@H](C)C2CC2)nc(N[C@H](C)C2CC2)n1
Show InChI InChI=1S/C20H26FN5O/c1-11(13-4-5-13)22-19-24-18(16-10-15(27-3)8-9-17(16)21)25-20(26-19)23-12(2)14-6-7-14/h8-14H,4-7H2,1-3H3,(H2,22,23,24,25,26)/t11-,12-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279862
PNG
(US10028961, Compound 9 | US10172864, Compound 9)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC2)nc(NC2CCC2)n1
Show InChI InChI=1S/C17H19F3N6/c18-17(19,20)13-9-3-8-12(23-13)14-24-15(21-10-4-1-5-10)26-16(25-14)22-11-6-2-7-11/h3,8-11H,1-2,4-7H2,(H2,21,22,24,25,26)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279863
PNG
(US10028961, Compound 10 | US10028961, Compound 79 ...)
Show SMILES C[C@@H](Nc1nc(NCC(C)(C)O)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C18H23F3N6O/c1-10(11-7-8-11)23-16-26-14(25-15(27-16)22-9-17(2,3)28)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11,28H,7-9H2,1-3H3,(H2,22,23,25,26,27)/t10-/m1/s1
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n/an/a 75n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279864
PNG
(US10028961, Compound 11 | US10028961, Compound 80 ...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(O)c1)C1CC1
Show InChI InChI=1S/C19H25N5O/c1-11(13-6-7-13)20-18-22-17(15-4-3-5-16(25)10-15)23-19(24-18)21-12(2)14-8-9-14/h3-5,10-14,25H,6-9H2,1-2H3,(H2,20,21,22,23,24)/t11-,12-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279865
PNG
(US10028961, Compound 12 | US10028961, Compound 81 ...)
Show SMILES CC(O)CNc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H21F3N6O/c1-9(27)8-21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26)/t9?,10-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279867
PNG
(US10028961, Compound 14 | US10172864, Compound 14)
Show SMILES CC(O)CNc1nc(NCC(C)O)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C15H19F3N6O2/c1-8(25)6-19-13-22-12(23-14(24-13)20-7-9(2)26)10-4-3-5-11(21-10)15(16,17)18/h3-5,8-9,25-26H,6-7H2,1-2H3,(H2,19,20,22,23,24)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279869
PNG
(US10028961, Compound 16 | US10028961, Compound 82 ...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(CO)c1)C1CC1
Show InChI InChI=1S/C20H27N5O/c1-12(15-6-7-15)21-19-23-18(17-5-3-4-14(10-17)11-26)24-20(25-19)22-13(2)16-8-9-16/h3-5,10,12-13,15-16,26H,6-9,11H2,1-2H3,(H2,21,22,23,24,25)/t12-,13-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279873
PNG
(US10028961, Compound 20 | US10172864, Compound 20)
Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H23F3N6/c1-13(15-7-4-3-5-8-15)26-20-29-19(17-9-6-10-18(28-17)22(23,24)25)30-21(31-20)27-14(2)16-11-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H2,26,27,29,30,31)/t13-,14+/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279874
PNG
(US10028961, Compound 21 | US10172864, Compound 21)
Show SMILES C[C@@H](Nc1nc(NCc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H21F3N6/c1-13(15-10-11-15)26-20-29-18(16-8-5-9-17(27-16)21(22,23)24)28-19(30-20)25-12-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H2,25,26,28,29,30)/t13-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279875
PNG
(US10028961, Compound 22 | US10172864, Compound 22)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H23F3N6/c1-13(15-7-4-3-5-8-15)26-20-29-19(17-9-6-10-18(28-17)22(23,24)25)30-21(31-20)27-14(2)16-11-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H2,26,27,29,30,31)/t13-,14-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279879
PNG
(US10028961, Compound 26 | US10172864, Compound 26)
Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279883
PNG
(US10028961, Compound 30 | US10028961, Compound 85 ...)
Show SMILES C[C@@H](Nc1nc(NC2(CC2)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C23H23F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,27,29,30,31,32)/t14-/m1/s1
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n/an/a 75n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279884
PNG
(US10028961, Compound 31 | US10172864, Compound 31)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,27,28,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279922
PNG
(US10028961, Compound 72 | US10172864, Compound 72)
Show SMILES Clc1cccc(n1)-c1nc(NC2C3COCC23)nc(NC2C3COCC23)n1
Show InChI InChI=1S/C18H19ClN6O2/c19-13-3-1-2-12(20-13)16-23-17(21-14-8-4-26-5-9(8)14)25-18(24-16)22-15-10-6-27-7-11(10)15/h1-3,8-11,14-15H,4-7H2,(H2,21,22,23,24,25)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279923
PNG
(US10028961, Compound 73 | US10172864, Compound 73)
Show SMILES CC(C)(C)CNc1nc(NCC(C)(C)C)nc(n1)-c1cccc(N)n1
Show InChI InChI=1S/C18H29N7/c1-17(2,3)10-20-15-23-14(12-8-7-9-13(19)22-12)24-16(25-15)21-11-18(4,5)6/h7-9H,10-11H2,1-6H3,(H2,19,22)(H2,20,21,23,24,25)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279924
PNG
(US10028961, Compound 74 | US10172864, Compound 74)
Show SMILES CC(C)CNc1nc(NCC(C)C)nc(n1)-c1cccc(N)n1
Show InChI InChI=1S/C16H25N7/c1-10(2)8-18-15-21-14(12-6-5-7-13(17)20-12)22-16(23-15)19-9-11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H2,17,20)(H2,18,19,21,22,23)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279925
PNG
(US10028961, Compound 75 | US10172864, Compound 75)
Show SMILES CC(C)CNc1nc(NC2CCOCC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H23F3N6O/c1-11(2)10-22-16-25-15(13-4-3-5-14(24-13)18(19,20)21)26-17(27-16)23-12-6-8-28-9-7-12/h3-5,11-12H,6-10H2,1-2H3,(H2,22,23,25,26,27)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279857
PNG
(BDBM279926 | US10028961, Compound 4 | US10172864, ...)
Show SMILES CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279861
PNG
(US10028961, Compound 78 | US10028961, Compound 8 |...)
Show SMILES COc1ccc(F)c(c1)-c1nc(N[C@H](C)C2CC2)nc(N[C@H](C)C2CC2)n1
Show InChI InChI=1S/C20H26FN5O/c1-11(13-4-5-13)22-19-24-18(16-10-15(27-3)8-9-17(16)21)25-20(26-19)23-12(2)14-6-7-14/h8-14H,4-7H2,1-3H3,(H2,22,23,24,25,26)/t11-,12-/m1/s1
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n/an/a 75n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279863
PNG
(US10028961, Compound 10 | US10028961, Compound 79 ...)
Show SMILES C[C@@H](Nc1nc(NCC(C)(C)O)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C18H23F3N6O/c1-10(11-7-8-11)23-16-26-14(25-15(27-16)22-9-17(2,3)28)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11,28H,7-9H2,1-3H3,(H2,22,23,25,26,27)/t10-/m1/s1
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n/an/a 75n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279864
PNG
(US10028961, Compound 11 | US10028961, Compound 80 ...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(O)c1)C1CC1
Show InChI InChI=1S/C19H25N5O/c1-11(13-6-7-13)20-18-22-17(15-4-3-5-16(25)10-15)23-19(24-18)21-12(2)14-8-9-14/h3-5,10-14,25H,6-9H2,1-2H3,(H2,20,21,22,23,24)/t11-,12-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279865
PNG
(US10028961, Compound 12 | US10028961, Compound 81 ...)
Show SMILES CC(O)CNc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C17H21F3N6O/c1-9(27)8-21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26)/t9?,10-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279869
PNG
(US10028961, Compound 16 | US10028961, Compound 82 ...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(CO)c1)C1CC1
Show InChI InChI=1S/C20H27N5O/c1-12(15-6-7-15)21-19-23-18(17-5-3-4-14(10-17)11-26)24-20(25-19)22-13(2)16-8-9-16/h3-5,10,12-13,15-16,26H,6-9,11H2,1-2H3,(H2,21,22,23,24,25)/t12-,13-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279883
PNG
(US10028961, Compound 30 | US10028961, Compound 85 ...)
Show SMILES C[C@@H](Nc1nc(NC2(CC2)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C23H23F3N6/c1-14(15-10-11-15)27-20-29-19(17-8-5-9-18(28-17)23(24,25)26)30-21(31-20)32-22(12-13-22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,27,29,30,31,32)/t14-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279947
PNG
(US10028961, Compound 100 | US10172864, Compound 10...)
Show SMILES C[C@@H](Nc1nc(NC(C(F)(F)F)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C14H10ClF9N6/c1-5(12(16,17)18)25-10-27-8(6-3-2-4-7(15)26-6)28-11(30-10)29-9(13(19,20)21)14(22,23)24/h2-5,9H,1H3,(H2,25,27,28,29,30)/t5-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279948
PNG
(US10028961, Compound 101 | US10172864, Compound 10...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279949
PNG
(US10028961, Compound 102 | US10172864, Compound 10...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(N[C@@H]2CCC(F)(F)C2)n1
Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,27,28,30,31,32)/t10-,11+
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279950
PNG
(US10028961, Compound 103 | US10172864, Compound 10...)
Show SMILES CCC(Nc1nc(NC(CC)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C16H17ClF6N6/c1-3-9(15(18,19)20)25-13-27-12(8-6-5-7-11(17)24-8)28-14(29-13)26-10(4-2)16(21,22)23/h5-7,9-10H,3-4H2,1-2H3,(H2,25,26,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279951
PNG
(US10028961, Compound 104 | US10172864, Compound 10...)
Show SMILES CC[C@@H](Nc1nc(N[C@H](CC)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C16H17ClF6N6/c1-3-9(15(18,19)20)25-13-27-12(8-6-5-7-11(17)24-8)28-14(29-13)26-10(4-2)16(21,22)23/h5-7,9-10H,3-4H2,1-2H3,(H2,25,26,27,28,29)/t9-,10-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279952
PNG
(US10028961, Compound 105 | US10172864, Compound 10...)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C20H22F6N6/c1-18(21,22)14-4-2-3-13(29-14)15-30-16(27-11-5-7-19(23,24)9-11)32-17(31-15)28-12-6-8-20(25,26)10-12/h2-4,11-12H,5-10H2,1H3,(H2,27,28,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279953
PNG
(US10028961, Compound 106 | US10172864, Compound 10...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-n2ccc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C17H12F7N7/c18-8-3-9(19)5-10(4-8)25-13-27-14(26-11-6-16(20,21)7-11)29-15(28-13)31-2-1-12(30-31)17(22,23)24/h1-5,11H,6-7H2,(H2,25,26,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279954
PNG
(US10028961, Compound 107 | US10172864, Compound 10...)
Show SMILES CC(Nc1nc(Nc2cc(F)cc(F)c2)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F8N7/c1-7(15(19,20)21)25-12-27-13(26-10-5-8(17)4-9(18)6-10)29-14(28-12)31-3-2-11(30-31)16(22,23)24/h2-7H,1H3,(H2,25,26,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279955
PNG
(US10028961, Compound 108 | US10172864, Compound 10...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-n2ccc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C18H14F7N7/c19-9-5-10(20)7-12(6-9)27-15-28-14(26-11-1-3-17(21,22)8-11)29-16(30-15)32-4-2-13(31-32)18(23,24)25/h2,4-7,11H,1,3,8H2,(H2,26,27,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279956
PNG
(US10028961, Compound 109 | US10172864, Compound 10...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cncc(Cl)n2)c1
Show InChI InChI=1S/C18H14ClF4N7/c19-14-8-24-7-13(27-14)15-28-16(25-11-1-2-18(22,23)6-11)30-17(29-15)26-12-4-9(20)3-10(21)5-12/h3-5,7-8,11H,1-2,6H2,(H2,25,26,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279957
PNG
(US10028961, Compound 110 | US10172864, Compound 11...)
Show SMILES CCC(Nc1nc(NC(CC)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1
Show InChI InChI=1S/C20H27ClN6/c1-3-14(12-8-9-12)23-19-25-18(16-6-5-7-17(21)22-16)26-20(27-19)24-15(4-2)13-10-11-13/h5-7,12-15H,3-4,8-11H2,1-2H3,(H2,23,24,25,26,27)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279958
PNG
(US10028961, Compound 111 | US10172864, Compound 11...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(N[C@@H]2CCC(F)(F)C2)n1
Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,27,28,30,31,32)/t10-,11-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279959
PNG
(US10028961, Compound 112 | US10172864, Compound 11...)
Show SMILES Fc1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-n2ccc(n2)C(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C19H14F6N8/c20-11-5-10(9-26)6-13(7-11)28-16-29-15(27-12-1-3-18(21,22)8-12)30-17(31-16)33-4-2-14(32-33)19(23,24)25/h2,4-7,12H,1,3,8H2,(H2,27,28,29,30,31)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279960
PNG
(US10028961, Compound 113 | US10172864, Compound 11...)
Show SMILES FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(Cl)n1
Show InChI InChI=1S/C18H19ClF4N6/c19-13-3-1-2-12(26-13)14-27-15(24-10-4-6-17(20,21)8-10)29-16(28-14)25-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,24,25,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279961
PNG
(US10028961, Compound 114 | US10172864, Compound 11...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1csc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H11F9N6S/c1-4(11(14,15)16)23-9-26-7(6-3-29-8(25-6)13(20,21)22)27-10(28-9)24-5(2)12(17,18)19/h3-5H,1-2H3,(H2,23,24,26,27,28)/t4-,5-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279962
PNG
(US10028961, Compound 115 | US10172864, Compound 11...)
Show SMILES FC(F)(F)c1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(Cl)n2)ccn1
Show InChI InChI=1S/C19H15ClF5N7/c20-14-3-1-2-12(29-14)15-30-16(27-10-5-7-26-13(8-10)19(23,24)25)32-17(31-15)28-11-4-6-18(21,22)9-11/h1-3,5,7-8,11H,4,6,9H2,(H2,26,27,28,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279963
PNG
(US10028961, Compound 116 | US10172864, Compound 11...)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C19H14F8N8/c20-17(21)3-1-10(6-17)31-16-34-14(11-7-28-8-13(32-11)19(25,26)27)33-15(35-16)30-9-2-4-29-12(5-9)18(22,23)24/h2,4-5,7-8,10H,1,3,6H2,(H2,29,30,31,33,34,35)/t10-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279964
PNG
(US10028961, Compound 117 | US10172864, Compound 11...)
Show SMILES CC(C)(C)Nc1nc(Nc2cccc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7/c1-19(2,3)30-18-28-16(14-8-5-9-15(26-14)20(21,22)23)27-17(29-18)25-13-7-4-6-12(10-13)11-24/h4-10H,1-3H3,(H2,25,27,28,29,30)
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n/an/a<50n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279965
PNG
(US10028961, Compound 118 | US10172864, Compound 11...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(N[C@H]2CCC(F)(F)C2)n1
Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,27,28,30,31,32)/t10-,11-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279966
PNG
(US10028961, Compound 119 | US10172864, Compound 11...)
Show SMILES CC(Nc1nc(Nc2cc(F)cc(c2)C#N)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F7N8/c1-8(16(19,20)21)26-13-28-14(27-11-5-9(7-25)4-10(18)6-11)30-15(29-13)32-3-2-12(31-32)17(22,23)24/h2-6,8H,1H3,(H2,26,27,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279967
PNG
(US10028961, Compound 120 | US10172864, Compound 12...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2cncc(Cl)n2)c1
Show InChI InChI=1S/C17H12ClF4N7/c18-13-7-23-6-12(26-13)14-27-15(24-10-2-8(19)1-9(20)3-10)29-16(28-14)25-11-4-17(21,22)5-11/h1-3,6-7,11H,4-5H2,(H2,24,25,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279968
PNG
(US10028961, Compound 121 | US10172864, Compound 12...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-n1ccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H22F3N7/c1-9(11-3-4-11)21-14-23-15(22-10(2)12-5-6-12)25-16(24-14)27-8-7-13(26-27)17(18,19)20/h7-12H,3-6H2,1-2H3,(H2,21,22,23,24,25)/t9-,10-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
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