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Compile Data Set for Download or QSAR

Found 2140 hits from Agios Pharmaceuticals, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132H


(Homo sapiens (human))
BDBM280043
PNG
(US10028961, Compound 196 | US10172864, Compound 19...)
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+
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280044
PNG
(US10028961, Compound 197 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C17H12F8N8/c18-15(19)6-9(7-15)28-13-29-12(27-8-1-3-26-11(5-8)17(23,24)25)30-14(31-13)33-4-2-10(32-33)16(20,21)22/h1-5,9H,6-7H2,(H2,26,27,28,29,30,31)
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280044
PNG
(US10028961, Compound 197 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C17H12F8N8/c18-15(19)6-9(7-15)28-13-29-12(27-8-1-3-26-11(5-8)17(23,24)25)30-14(31-13)33-4-2-10(32-33)16(20,21)22/h1-5,9H,6-7H2,(H2,26,27,28,29,30,31)
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n/an/a<50n/an/an/an/an/an/a



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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280045
PNG
(US10028961, Compound 198 | US10172864, Compound 19...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)F)C1CC1
Show InChI InChI=1S/C19H24F2N6/c1-10(12-6-7-12)22-18-25-17(15-5-3-4-14(24-15)16(20)21)26-19(27-18)23-11(2)13-8-9-13/h3-5,10-13,16H,6-9H2,1-2H3,(H2,22,23,25,26,27)/t10-,11-/m1/s1
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280045
PNG
(US10028961, Compound 198 | US10172864, Compound 19...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)F)C1CC1
Show InChI InChI=1S/C19H24F2N6/c1-10(12-6-7-12)22-18-25-17(15-5-3-4-14(24-15)16(20)21)26-19(27-18)23-11(2)13-8-9-13/h3-5,10-13,16H,6-9H2,1-2H3,(H2,22,23,25,26,27)/t10-,11-/m1/s1
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n/an/a<50n/an/an/an/an/an/a



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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280046
PNG
(US10028961, Compound 199 | US10172864, Compound 19...)
Show SMILES Fc1ccc(cc1)[C@@H]1C[C@@H](C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C24H22F6N6/c25-15-6-4-13(5-7-15)14-10-17(11-14)32-22-35-20(18-2-1-3-19(33-18)24(28,29)30)34-21(36-22)31-16-8-9-23(26,27)12-16/h1-7,14,16-17H,8-12H2,(H2,31,32,34,35,36)/t14-,16?,17+
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280046
PNG
(US10028961, Compound 199 | US10172864, Compound 19...)
Show SMILES Fc1ccc(cc1)[C@@H]1C[C@@H](C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C24H22F6N6/c25-15-6-4-13(5-7-15)14-10-17(11-14)32-22-35-20(18-2-1-3-19(33-18)24(28,29)30)34-21(36-22)31-16-8-9-23(26,27)12-16/h1-7,14,16-17H,8-12H2,(H2,31,32,34,35,36)/t14-,16?,17+
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280046
PNG
(US10028961, Compound 199 | US10172864, Compound 19...)
Show SMILES Fc1ccc(cc1)[C@@H]1C[C@@H](C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C24H22F6N6/c25-15-6-4-13(5-7-15)14-10-17(11-14)32-22-35-20(18-2-1-3-19(33-18)24(28,29)30)34-21(36-22)31-16-8-9-23(26,27)12-16/h1-7,14,16-17H,8-12H2,(H2,31,32,34,35,36)/t14-,16?,17+
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n/an/a<50n/an/an/an/an/an/a



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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280047
PNG
(US10028961, Compound 200 | US10172864, Compound 20...)
Show SMILES FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(n2)-c2cccc(Cl)n2)ccn1
Show InChI InChI=1S/C18H15ClF3N7/c19-14-3-1-2-12(26-14)15-27-16(24-9-10-4-5-10)29-17(28-15)25-11-6-7-23-13(8-11)18(20,21)22/h1-3,6-8,10H,4-5,9H2,(H2,23,24,25,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280047
PNG
(US10028961, Compound 200 | US10172864, Compound 20...)
Show SMILES FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(n2)-c2cccc(Cl)n2)ccn1
Show InChI InChI=1S/C18H15ClF3N7/c19-14-3-1-2-12(26-14)15-27-16(24-9-10-4-5-10)29-17(28-15)25-11-6-7-23-13(8-11)18(20,21)22/h1-3,6-8,10H,4-5,9H2,(H2,23,24,25,27,28,29)
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n/an/a<50n/an/an/an/an/an/a



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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280048
PNG
(US10028961, Compound 201 | US10172864, Compound 20...)
Show SMILES CC(Nc1nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6N9/c1-10(18(20,21)22)28-14-30-15(29-11-3-7-27-13(9-11)17(26-2)5-6-17)32-16(31-14)34-8-4-12(33-34)19(23,24)25/h3-4,7-10H,5-6H2,1H3,(H2,27,28,29,30,31,32)
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280048
PNG
(US10028961, Compound 201 | US10172864, Compound 20...)
Show SMILES CC(Nc1nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6N9/c1-10(18(20,21)22)28-14-30-15(29-11-3-7-27-13(9-11)17(26-2)5-6-17)32-16(31-14)34-8-4-12(33-34)19(23,24)25/h3-4,7-10H,5-6H2,1H3,(H2,27,28,29,30,31,32)
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n/an/a<50n/an/an/an/an/an/a



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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280049
PNG
(US10028961, Compound 202 | US10172864, Compound 20...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C25H20F5N7/c26-24(27)11-9-17(14-24)33-23-36-21(18-7-4-8-20(34-18)25(28,29)30)35-22(37-23)32-16-10-12-31-19(13-16)15-5-2-1-3-6-15/h1-8,10,12-13,17H,9,11,14H2,(H2,31,32,33,35,36,37)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280049
PNG
(US10028961, Compound 202 | US10172864, Compound 20...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C25H20F5N7/c26-24(27)11-9-17(14-24)33-23-36-21(18-7-4-8-20(34-18)25(28,29)30)35-22(37-23)32-16-10-12-31-19(13-16)15-5-2-1-3-6-15/h1-8,10,12-13,17H,9,11,14H2,(H2,31,32,33,35,36,37)
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n/an/a<50n/an/an/an/an/an/a



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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280050
PNG
(US10028961, Compound 203 | US10172864, Compound 20...)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280050
PNG
(US10028961, Compound 203 | US10172864, Compound 20...)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280050
PNG
(US10028961, Compound 203 | US10172864, Compound 20...)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280051
PNG
(US10028961, Compound 204 | US10172864, Compound 20...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C21H17F5N8/c22-20(23)7-4-12(5-8-20)29-18-32-17(15-2-1-3-16(31-15)21(24,25)26)33-19(34-18)30-13-6-9-28-14(10-13)11-27/h1-3,6,9-10,12H,4-5,7-8H2,(H2,28,29,30,32,33,34)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280051
PNG
(US10028961, Compound 204 | US10172864, Compound 20...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C21H17F5N8/c22-20(23)7-4-12(5-8-20)29-18-32-17(15-2-1-3-16(31-15)21(24,25)26)33-19(34-18)30-13-6-9-28-14(10-13)11-27/h1-3,6,9-10,12H,4-5,7-8H2,(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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280052
PNG
(US10028961, Compound 205 | US10172864, Compound 20...)
Show SMILES FC(F)c1csc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H22F6N6S/c20-13(21)12-9-32-15(28-12)14-29-16(26-10-1-5-18(22,23)6-2-10)31-17(30-14)27-11-3-7-19(24,25)8-4-11/h9-11,13H,1-8H2,(H2,26,27,29,30,31)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280052
PNG
(US10028961, Compound 205 | US10172864, Compound 20...)
Show SMILES FC(F)c1csc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H22F6N6S/c20-13(21)12-9-32-15(28-12)14-29-16(26-10-1-5-18(22,23)6-2-10)31-17(30-14)27-11-3-7-19(24,25)8-4-11/h9-11,13H,1-8H2,(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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280053
PNG
(US10028961, Compound 206 | US10172864, Compound 20...)
Show SMILES CC(Cc1ccccc1)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6/c1-14(13-16-7-4-3-5-8-16)27-21-30-20(18-9-6-10-19(29-18)23(24,25)26)31-22(32-21)28-15(2)17-11-12-17/h3-10,14-15,17H,11-13H2,1-2H3,(H2,27,28,30,31,32)/t14?,15-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280054
PNG
(US10028961, Compound 207 | US10172864, Compound 20...)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C#N)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6N9/c1-8(15(17,18)19)25-12-27-13(26-9-2-4-24-10(6-9)7-23)29-14(28-12)31-5-3-11(30-31)16(20,21)22/h2-6,8H,1H3,(H2,24,25,26,27,28,29)/t8-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280054
PNG
(US10028961, Compound 207 | US10172864, Compound 20...)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C#N)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6N9/c1-8(15(17,18)19)25-12-27-13(26-9-2-4-24-10(6-9)7-23)29-14(28-12)31-5-3-11(30-31)16(20,21)22/h2-6,8H,1H3,(H2,24,25,26,27,28,29)/t8-/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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280055
PNG
(US10028961, Compound 208 | US10172864, Compound 20...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(C2)c2ccccc2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C24H23F5N6/c25-23(26)10-9-16(13-23)30-21-33-20(18-7-4-8-19(32-18)24(27,28)29)34-22(35-21)31-17-11-15(12-17)14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H2,30,31,33,34,35)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280056
PNG
(US10028961, Compound 209 | US10172864, Compound 20...)
Show SMILES CC(F)(F)c1nc(cs1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C16H16F6N6S/c1-14(17,18)11-25-9(6-29-11)10-26-12(23-7-2-15(19,20)3-7)28-13(27-10)24-8-4-16(21,22)5-8/h6-8H,2-5H2,1H3,(H2,23,24,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280056
PNG
(US10028961, Compound 209 | US10172864, Compound 20...)
Show SMILES CC(F)(F)c1nc(cs1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C16H16F6N6S/c1-14(17,18)11-25-9(6-29-11)10-26-12(23-7-2-15(19,20)3-7)28-13(27-10)24-8-4-16(21,22)5-8/h6-8H,2-5H2,1H3,(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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280057
PNG
(US10028961, Compound 210 | US10172864, Compound 21...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C17H12F5N9/c18-16(19)6-11(7-16)26-14-27-13(25-9-1-3-24-10(5-9)8-23)28-15(29-14)31-4-2-12(30-31)17(20,21)22/h1-5,11H,6-7H2,(H2,24,25,26,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280057
PNG
(US10028961, Compound 210 | US10172864, Compound 21...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C17H12F5N9/c18-16(19)6-11(7-16)26-14-27-13(25-9-1-3-24-10(5-9)8-23)28-15(29-14)31-4-2-12(30-31)17(20,21)22/h1-5,11H,6-7H2,(H2,24,25,26,27,28,29)
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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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280058
PNG
(US10028961, Compound 211 | US10172864, Compound 21...)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C25H24F4N8/c1-23(26,27)18-4-2-3-17(34-18)20-35-21(32-15-5-8-25(28,29)9-6-15)37-22(36-20)33-16-7-12-31-19(13-16)24(14-30)10-11-24/h2-4,7,12-13,15H,5-6,8-11H2,1H3,(H2,31,32,33,35,36,37)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280058
PNG
(US10028961, Compound 211 | US10172864, Compound 21...)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C25H24F4N8/c1-23(26,27)18-4-2-3-17(34-18)20-35-21(32-15-5-8-25(28,29)9-6-15)37-22(36-20)33-16-7-12-31-19(13-16)24(14-30)10-11-24/h2-4,7,12-13,15H,5-6,8-11H2,1H3,(H2,31,32,33,35,36,37)
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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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280059
PNG
(US10028961, Compound 212 | US10172864, Compound 21...)
Show SMILES FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1
Show InChI InChI=1S/C20H23ClF4N6/c21-15-3-1-2-14(28-15)16-29-17(26-12-4-8-19(22,23)9-5-12)31-18(30-16)27-13-6-10-20(24,25)11-7-13/h1-3,12-13H,4-11H2,(H2,26,27,29,30,31)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280059
PNG
(US10028961, Compound 212 | US10172864, Compound 21...)
Show SMILES FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1
Show InChI InChI=1S/C20H23ClF4N6/c21-15-3-1-2-14(28-15)16-29-17(26-12-4-8-19(22,23)9-5-12)31-18(30-16)27-13-6-10-20(24,25)11-7-13/h1-3,12-13H,4-11H2,(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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280060
PNG
(US10028961, Compound 213 | US10172864, Compound 21...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C19H13F5N8/c20-18(21)7-12(8-18)28-17-31-15(13-2-1-3-14(29-13)19(22,23)24)30-16(32-17)27-10-4-5-26-11(6-10)9-25/h1-6,12H,7-8H2,(H2,26,27,28,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280060
PNG
(US10028961, Compound 213 | US10172864, Compound 21...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C19H13F5N8/c20-18(21)7-12(8-18)28-17-31-15(13-2-1-3-14(29-13)19(22,23)24)30-16(32-17)27-10-4-5-26-11(6-10)9-25/h1-6,12H,7-8H2,(H2,26,27,28,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280060
PNG
(US10028961, Compound 213 | US10172864, Compound 21...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C19H13F5N8/c20-18(21)7-12(8-18)28-17-31-15(13-2-1-3-14(29-13)19(22,23)24)30-16(32-17)27-10-4-5-26-11(6-10)9-25/h1-6,12H,7-8H2,(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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280061
PNG
(US10028961, Compound 214 | US10172864, Compound 21...)
Show SMILES CC(CC#N)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7/c1-10(8-9-22)23-16-26-15(13-4-3-5-14(25-13)18(19,20)21)27-17(28-16)24-11(2)12-6-7-12/h3-5,10-12H,6-8H2,1-2H3,(H2,23,24,26,27,28)/t10?,11-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280061
PNG
(US10028961, Compound 214 | US10172864, Compound 21...)
Show SMILES CC(CC#N)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7/c1-10(8-9-22)23-16-26-15(13-4-3-5-14(25-13)18(19,20)21)27-17(28-16)24-11(2)12-6-7-12/h3-5,10-12H,6-8H2,1-2H3,(H2,23,24,26,27,28)/t10?,11-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(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
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(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
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(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
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(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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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(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
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280019
PNG
(US10028961, Compound 172 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C20H15F8N7/c21-18(22)6-4-11(9-18)31-17-34-15(12-2-1-3-13(32-12)19(23,24)25)33-16(35-17)30-10-5-7-29-14(8-10)20(26,27)28/h1-3,5,7-8,11H,4,6,9H2,(H2,29,30,31,33,34,35)/t11-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10172864 (2019)

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


(Homo sapiens (Human))
BDBM280019
PNG
(US10028961, Compound 172 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C20H15F8N7/c21-18(22)6-4-11(9-18)31-17-34-15(12-2-1-3-13(32-12)19(23,24)25)33-16(35-17)30-10-5-7-29-14(8-10)20(26,27)28/h1-3,5,7-8,11H,4,6,9H2,(H2,29,30,31,33,34,35)/t11-/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 US10172864 (2019)

More data for this
Ligand-Target Pair
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