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Compile Data Set for Download or QSAR

Found 556 hits Enz. Inhib. hit(s) 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))
BDBM280012
PNG
(US10028961, Compound 165 | US10172864, Compound 16...)
Show SMILES Nc1ccc(F)c(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C20H18F5N7/c21-10-7-11(22)9-13(8-10)28-19-31-17(16-14(23)1-2-15(26)29-16)30-18(32-19)27-12-3-5-20(24,25)6-4-12/h1-2,7-9,12H,3-6H2,(H2,26,29)(H2,27,28,30,31,32)
PDB

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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))
BDBM280014
PNG
(US10028961, Compound 167 | US10172864, Compound 16...)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(Cl)n1)C1CC1
Show InChI InChI=1S/C22H21ClN8/c1-13(14-5-6-14)26-20-29-19(16-3-2-4-18(23)28-16)30-21(31-20)27-15-7-10-25-17(11-15)22(12-24)8-9-22/h2-4,7,10-11,13-14H,5-6,8-9H2,1H3,(H2,25,26,27,29,30,31)/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))
BDBM280015
PNG
(US10028961, Compound 168 | US10172864, Compound 16...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C22H17F5N8/c1-28-20(6-7-20)16-9-12(5-8-29-16)30-18-33-17(14-3-2-4-15(32-14)22(25,26)27)34-19(35-18)31-13-10-21(23,24)11-13/h2-5,8-9,13H,6-7,10-11H2,(H2,29,30,31,33,34,35)
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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))
BDBM280016
PNG
(US10028961, Compound 169 | US10172864, Compound 16...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C20H16F5N9/c1-26-18(4-5-18)14-8-11(2-6-27-14)28-15-30-16(29-12-9-19(21,22)10-12)32-17(31-15)34-7-3-13(33-34)20(23,24)25/h2-3,6-8,12H,4-5,9-10H2,(H2,27,28,29,30,31,32)
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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))
BDBM280017
PNG
(US10028961, Compound 170 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1nc(cs1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C15H13F7N6S/c16-13(17)1-6(2-13)23-11-26-9(8-5-29-10(25-8)15(20,21)22)27-12(28-11)24-7-3-14(18,19)4-7/h5-7H,1-4H2,(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))
BDBM280018
PNG
(US10028961, Compound 171 | US10172864, Compound 17...)
Show SMILES CC(Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H12F9N7/c1-8(16(19,20)21)29-14-32-13(10-3-2-4-11(31-10)17(22,23)24)33-15(34-14)30-9-5-6-28-12(7-9)18(25,26)27/h2-8H,1H3,(H2,28,29,30,32,33,34)
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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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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
IDH2(R140Q)


(Homo sapiens (Human))
BDBM279969
PNG
(US10028961, Compound 122 | US10172864, Compound 12...)
Show SMILES Fc1cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2nc(cs2)C(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C18H11F6N7S/c19-9-1-8(6-25)2-10(3-9)26-15-29-13(14-28-12(7-32-14)18(22,23)24)30-16(31-15)27-11-4-17(20,21)5-11/h1-3,7,11H,4-5H2,(H2,26,27,29,30,31)
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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))
BDBM279970
PNG
(US10028961, Compound 123 | US10172864, Compound 12...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C20H15F7N6/c21-10-6-11(22)8-13(7-10)29-18-32-16(14-2-1-3-15(30-14)20(25,26)27)31-17(33-18)28-12-4-5-19(23,24)9-12/h1-3,6-8,12H,4-5,9H2,(H2,28,29,31,32,33)
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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))
BDBM279971
PNG
(US10028961, Compound 124 | US10172864, Compound 12...)
Show SMILES Fc1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C21H15F6N7/c22-12-6-11(10-28)7-14(8-12)30-19-33-17(15-2-1-3-16(31-15)21(25,26)27)32-18(34-19)29-13-4-5-20(23,24)9-13/h1-3,6-8,13H,4-5,9H2,(H2,29,30,32,33,34)
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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))
BDBM279972
PNG
(US10028961, Compound 125 | US10172864, Compound 12...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cccc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F7N6/c22-11-8-12(23)10-14(9-11)30-19-33-17(15-2-1-3-16(31-15)21(26,27)28)32-18(34-19)29-13-4-6-20(24,25)7-5-13/h1-3,8-10,13H,4-7H2,(H2,29,30,32,33,34)
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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))
BDBM279973
PNG
(US10028961, Compound 126 | US10172864, Compound 12...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C15H14F7N7/c16-13(17)3-7(4-13)23-10-25-11(24-8-5-14(18,19)6-8)27-12(26-10)29-2-1-9(28-29)15(20,21)22/h1-2,7-8H,3-6H2,(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))
BDBM279974
PNG
(US10028961, Compound 127 | US10172864, Compound 12...)
Show SMILES FC1(F)CCC(C1)Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(Cl)n1
Show InChI InChI=1S/C22H19ClF2N8/c23-17-3-1-2-15(30-17)18-31-19(33-20(32-18)29-14-4-6-22(24,25)11-14)28-13-5-9-27-16(10-13)21(12-26)7-8-21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,27,28,29,31,32,33)
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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))
BDBM279975
PNG
(US10028961, Compound 128 | US10172864, Compound 12...)
Show SMILES FC(F)(F)c1csc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C15H13F7N6S/c16-13(17)1-6(2-13)23-11-26-9(10-25-8(5-29-10)15(20,21)22)27-12(28-11)24-7-3-14(18,19)4-7/h5-7H,1-4H2,(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))
BDBM279976
PNG
(US10028961, Compound 129 | US10172864, Compound 12...)
Show SMILES FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cncc(Cl)n1
Show InChI InChI=1S/C17H18ClF4N7/c18-12-8-23-7-11(26-12)13-27-14(24-9-1-3-16(19,20)5-9)29-15(28-13)25-10-2-4-17(21,22)6-10/h7-10H,1-6H2,(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))
BDBM279977
PNG
(US10028961, Compound 130 | US10172864, Compound 13...)
Show SMILES CC(Nc1nc(NC(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)
PDB

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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))
BDBM279978
PNG
(US10028961, Compound 131 | US10172864, Compound 13...)
Show SMILES Clc1cccc(n1)-c1nc(NC(C2CC2)C2CC2)nc(NC(C2CC2)C2CC2)n1
Show InChI InChI=1S/C22H27ClN6/c23-17-3-1-2-16(24-17)20-27-21(25-18(12-4-5-12)13-6-7-13)29-22(28-20)26-19(14-8-9-14)15-10-11-15/h1-3,12-15,18-19H,4-11H2,(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))
BDBM279979
PNG
(US10028961, Compound 132 | US10172864, Compound 13...)
Show SMILES Fc1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2nc(cs2)C(F)(F)F)cc(c1)[N+]#[C-]
Show InChI InChI=1S/C19H13F6N7S/c1-26-11-4-9(20)5-12(6-11)28-17-31-14(15-29-13(8-33-15)19(23,24)25)30-16(32-17)27-10-2-3-18(21,22)7-10/h4-6,8,10H,2-3,7H2,(H2,27,28,30,31,32)
PDB

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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))
BDBM279980
PNG
(US10028961, Compound 133 | US10172864, Compound 13...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C23H19F5N8/c24-22(25)6-4-14(11-22)32-20-35-18(15-2-1-3-16(33-15)23(26,27)28)34-19(36-20)31-13-5-9-30-17(10-13)21(12-29)7-8-21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,30,31,32,34,35,36)/t14-/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))
BDBM279981
PNG
(US10028961, Compound 134 | US10172864, Compound 13...)
Show SMILES CC(Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C20H16ClF3N8/c1-11(20(22,23)24)27-17-30-16(13-3-2-4-15(21)29-13)31-18(32-17)28-12-5-8-26-14(9-12)19(10-25)6-7-19/h2-5,8-9,11H,6-7H2,1H3,(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))
BDBM279983
PNG
(US10028961, Compound 136 | US10172864, Compound 13...)
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+
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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))
BDBM279984
PNG
(US10028961, Compound 137 | US10172864, Compound 13...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C23H19F5N8/c24-22(25)6-4-14(11-22)32-20-35-18(15-2-1-3-16(33-15)23(26,27)28)34-19(36-20)31-13-5-9-30-17(10-13)21(12-29)7-8-21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,30,31,32,34,35,36)/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))
BDBM279985
PNG
(US10028961, Compound 138 | US10172864, Compound 13...)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C18H18F7N7/c19-16(20)3-1-9(5-16)27-14-30-13(11-7-26-8-12(29-11)18(23,24)25)31-15(32-14)28-10-2-4-17(21,22)6-10/h7-10H,1-6H2,(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))
BDBM279986
PNG
(US10028961, Compound 139 | US10172864, Compound 13...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2nc(F)ccc2F)c1
Show InChI InChI=1S/C19H14F6N6/c20-9-5-10(21)7-12(6-9)27-18-30-16(15-13(22)1-2-14(23)28-15)29-17(31-18)26-11-3-4-19(24,25)8-11/h1-2,5-7,11H,3-4,8H2,(H2,26,27,29,30,31)
PDB

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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))
BDBM279987
PNG
(US10028961, Compound 140 | US10172864, Compound 14...)
Show SMILES Fc1cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-n2ccc(n2)C(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C18H12F6N8/c19-10-3-9(8-25)4-11(5-10)26-14-28-15(27-12-6-17(20,21)7-12)30-16(29-14)32-2-1-13(31-32)18(22,23)24/h1-5,12H,6-7H2,(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))
BDBM279988
PNG
(US10028961, Compound 141 | US10172864, Compound 14...)
Show SMILES CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H12F9N7/c1-5(11(14,15)16)23-8-25-9(24-6(2)12(17,18)19)27-10(26-8)29-4-3-7(28-29)13(20,21)22/h3-6H,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))
BDBM279989
PNG
(US10028961, Compound 142 | US10172864, Compound 14...)
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-/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))
BDBM279990
PNG
(US10028961, Compound 143 | US10172864, Compound 14...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(5-7-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-8-18(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))
BDBM279991
PNG
(US10028961, Compound 144 | US10172864, Compound 14...)
Show SMILES FC1(F)CC(C1)Nc1nc(NC2CC(F)(F)C2)nc(n1)-c1cncc(Cl)n1
Show InChI InChI=1S/C15H14ClF4N7/c16-10-6-21-5-9(24-10)11-25-12(22-7-1-14(17,18)2-7)27-13(26-11)23-8-3-15(19,20)4-8/h5-8H,1-4H2,(H2,22,23,25,26,27)
PDB

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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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