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Patent code US10028961

Compile Data Set for Download or QSAR

Found 1070 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132H


(Homo sapiens (human))
BDBM280076
PNG
(US10028961, Compound 229)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C25H21F5N8/c1-31-23(6-7-23)18-9-14(5-8-32-18)33-20-36-19(16-3-2-4-17(35-16)25(28,29)30)37-21(38-20)34-15-10-22(11-15)12-24(26,27)13-22/h2-5,8-9,15H,6-7,10-13H2,(H2,32,33,34,36,37,38)
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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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (human))
BDBM280084
PNG
(US10028961, Compound 237)
Show SMILES FC(F)(F)c1ccnc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C18H18F7N7/c19-16(20)4-1-9(7-16)27-14-30-13(12-26-6-3-11(29-12)18(23,24)25)31-15(32-14)28-10-2-5-17(21,22)8-10/h3,6,9-10H,1-2,4-5,7-8H2,(H2,27,28,30,31,32)
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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 US10028961 (2018)

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


(Homo sapiens (Human))
BDBM280182
PNG
(US10028961, Compound 340)
Show SMILES FC(F)(F)c1cc(Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(n2)-c2ccnc(n2)C(F)(F)F)ccn1
Show InChI InChI=1S/C19H14F8N8/c20-17(21)4-1-10(8-17)31-16-34-13(11-3-6-29-14(32-11)19(25,26)27)33-15(35-16)30-9-2-5-28-12(7-9)18(22,23)24/h2-3,5-7,10H,1,4,8H2,(H2,28,30,31,33,34,35)/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))
BDBM280190
PNG
(US10028961, Compound 348)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(n1)C(C)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19F5N8/c1-12(22(25,26)27)30-18-33-17(14-4-3-5-15(32-14)20(2,23)24)34-19(35-18)31-13-6-9-29-16(10-13)21(11-28)7-8-21/h3-6,9-10,12H,7-8H2,1-2H3,(H2,29,30,31,33,34,35)/t12-/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))
BDBM280199
PNG
(US10028961, Compound 357)
Show SMILES CC(F)(F)c1csc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H24F6N6S/c1-18(21,22)13-10-33-15(29-13)14-30-16(27-11-2-6-19(23,24)7-3-11)32-17(31-14)28-12-4-8-20(25,26)9-5-12/h10-12H,2-9H2,1H3,(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))
BDBM280209
PNG
(US10028961, Compound 367)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cncc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C20H16F7N7/c21-10-5-11(22)7-13(6-10)30-18-33-16(14-8-28-9-15(31-14)20(25,26)27)32-17(34-18)29-12-1-3-19(23,24)4-2-12/h5-9,12H,1-4H2,(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))
BDBM280223
PNG
(US10028961, Compound 381)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C18H14F5N9/c19-17(20)4-1-11(8-17)27-15-28-14(26-10-2-5-25-12(7-10)9-24)29-16(30-15)32-6-3-13(31-32)18(21,22)23/h2-3,5-7,11H,1,4,8H2,(H2,25,26,27,28,29,30)/t11-/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))
BDBM280226
PNG
(US10028961, Compound 384)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C24H22F4N8/c1-22(25,26)17-4-2-3-16(33-17)19-34-20(36-21(35-19)32-15-5-7-24(27,28)12-15)31-14-6-10-30-18(11-14)23(13-29)8-9-23/h2-4,6,10-11,15H,5,7-9,12H2,1H3,(H2,30,31,32,34,35,36)
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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))
BDBM280228
PNG
(US10028961, Compound 386)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cncc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H12F9N7/c1-5(12(15,16)17)25-10-28-9(7-3-24-4-8(27-7)14(21,22)23)29-11(30-10)26-6(2)13(18,19)20/h3-6H,1-2H3,(H2,25,26,28,29,30)/t5-,6-/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))
BDBM280232
PNG
(US10028961, Compound 390)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C18H12F8N8/c19-16(20)4-9(5-16)30-15-33-13(10-6-27-7-12(31-10)18(24,25)26)32-14(34-15)29-8-1-2-28-11(3-8)17(21,22)23/h1-3,6-7,9H,4-5H2,(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))
BDBM280234
PNG
(US10028961, Compound 392)
Show SMILES C[C@@H](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)/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))
BDBM280237
PNG
(US10028961, Compound 395)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H21F7N6/c21-18(22)7-4-11(5-8-18)28-16-31-15(13-2-1-3-14(30-13)20(25,26)27)32-17(33-16)29-12-6-9-19(23,24)10-12/h1-3,11-12H,4-10H2,(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))
BDBM280245
PNG
(US10028961, Compound 404)
Show SMILES CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1nc(cs1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H11F9N6S/c1-4(11(14,15)16)23-9-26-7(8-25-6(3-29-8)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)
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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
IDH1 R132H


(Homo sapiens (human))
BDBM280255
PNG
(US10028961, Compound 414)
Show SMILES C[C@@H](Nc1cc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C20H24F3N5/c1-11(13-6-7-13)24-17-10-18(25-12(2)14-8-9-14)28-19(27-17)15-4-3-5-16(26-15)20(21,22)23/h3-5,10-14H,6-9H2,1-2H3,(H2,24,25,27,28)/t11-,12-/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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279963
PNG
(US10028961, Compound 116)
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
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279970
PNG
(US10028961, Compound 123)
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
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280001
PNG
(US10028961, Compound 154)
Show SMILES Fc1cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C20H13F6N7/c21-11-4-10(9-27)5-12(6-11)28-17-31-16(14-2-1-3-15(30-14)20(24,25)26)32-18(33-17)29-13-7-19(22,23)8-13/h1-6,13H,7-8H2,(H2,28,29,31,32,33)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280009
PNG
(US10028961, Compound 162)
Show SMILES CC(C)(C)Nc1nc(Nc2ccnc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N8/c1-18(2,3)30-17-28-15(13-5-4-6-14(26-13)19(20,21)22)27-16(29-17)25-11-7-8-24-12(9-11)10-23/h4-9H,1-3H3,(H2,24,25,27,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279871
PNG
(US10028961, Compound 18)
Show SMILES CC(C)[C@@H](C)Nc1nc(N[C@H](C)C(C)C)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)/t12-,13-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279886
PNG
(US10028961, Compound 33)
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-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279898
PNG
(US10028961, Compound 45)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1
Show InChI InChI=1S/C18H23ClN6/c1-10(12-6-7-12)20-17-23-16(14-4-3-5-15(19)22-14)24-18(25-17)21-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,20,21,23,24,25)/t10-,11-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279947
PNG
(US10028961, Compound 100)
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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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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280192
PNG
(US10028961, Compound 350)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C21H18F5N9/c22-20(23)4-1-13(10-20)30-17-31-16(29-12-2-7-28-15(9-12)19(11-27)5-6-19)32-18(33-17)35-8-3-14(34-35)21(24,25)26/h2-3,7-9,13H,1,4-6,10H2,(H2,28,29,30,31,32,33)/t13-/m1/s1
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280200
PNG
(US10028961, Compound 358)
Show SMILES CC(F)(F)c1cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)ccn1
Show InChI InChI=1S/C20H16F7N7/c1-18(21,22)14-7-10(5-6-28-14)29-16-32-15(12-3-2-4-13(31-12)20(25,26)27)33-17(34-16)30-11-8-19(23,24)9-11/h2-7,11H,8-9H2,1H3,(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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280209
PNG
(US10028961, Compound 367)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cncc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C20H16F7N7/c21-10-5-11(22)7-13(6-10)30-18-33-16(14-8-28-9-15(31-14)20(25,26)27)32-17(34-18)29-12-1-3-19(23,24)4-2-12/h5-9,12H,1-4H2,(H2,29,30,32,33,34)
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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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280228
PNG
(US10028961, Compound 386)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cncc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H12F9N7/c1-5(12(15,16)17)25-10-28-9(7-3-24-4-8(27-7)14(21,22)23)29-11(30-10)26-6(2)13(18,19)20/h3-6H,1-2H3,(H2,25,26,28,29,30)/t5-,6-/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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279955
PNG
(US10028961, Compound 108)
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
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 US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279956
PNG
(US10028961, Compound 109)
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
IDH1 R132C


(Homo sapiens (human))
BDBM279964
PNG
(US10028961, Compound 117)
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
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280237
PNG
(US10028961, Compound 395)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H21F7N6/c21-18(22)7-4-11(5-8-18)28-16-31-15(13-2-1-3-14(30-13)20(25,26)27)32-17(33-16)29-12-6-9-19(23,24)10-12/h1-3,11-12H,4-10H2,(H2,28,29,31,32,33)
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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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280241
PNG
(US10028961, Compound 400)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N8/c1-7(14(17,18)19)27-11-29-12(28-8-2-4-26-10(6-8)16(23,24)25)31-13(30-11)33-5-3-9(32-33)15(20,21)22/h2-7H,1H3,(H2,26,27,28,29,30,31)/t7-/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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279976
PNG
(US10028961, Compound 129)
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
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279977
PNG
(US10028961, Compound 130)
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)
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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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279978
PNG
(US10028961, Compound 131)
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
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279981
PNG
(US10028961, Compound 134)
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
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (human))
BDBM279983
PNG
(US10028961, Compound 136)
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
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279987
PNG
(US10028961, Compound 140)
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
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 US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279989
PNG
(US10028961, Compound 142)
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
IDH1 R132H


(Homo sapiens (human))
BDBM279990
PNG
(US10028961, Compound 143)
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
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279991
PNG
(US10028961, Compound 144)
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)
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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 US10028961 (2018)

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


(Homo sapiens (Human))
BDBM279992
PNG
(US10028961, Compound 145)
Show SMILES FC(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C17H16F6N6/c18-12(19)10-2-1-3-11(26-10)13-27-14(24-8-4-16(20,21)5-8)29-15(28-13)25-9-6-17(22,23)7-9/h1-3,8-9,12H,4-7H2,(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))
BDBM279994
PNG
(US10028961, Compound 147)
Show SMILES FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cncc(Cl)n1
Show InChI InChI=1S/C19H22ClF4N7/c20-14-10-25-9-13(28-14)15-29-16(26-11-1-5-18(21,22)6-2-11)31-17(30-15)27-12-3-7-19(23,24)8-4-12/h9-12H,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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279995
PNG
(US10028961, Compound 148)
Show SMILES FC(F)(F)c1csc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C17H17F7N6S/c18-15(19)3-1-8(5-15)25-13-28-11(12-27-10(7-31-12)17(22,23)24)29-14(30-13)26-9-2-4-16(20,21)6-9/h7-9H,1-6H2,(H2,25,26,28,29,30)
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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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279996
PNG
(US10028961, Compound 149)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C17H15F7N6/c18-15(19)4-8(5-15)25-13-28-12(10-2-1-3-11(27-10)17(22,23)24)29-14(30-13)26-9-6-16(20,21)7-9/h1-3,8-9H,4-7H2,(H2,25,26,28,29,30)
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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 US10028961 (2018)

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


(Homo sapiens (Human))
BDBM280000
PNG
(US10028961, Compound 153)
Show SMILES Nc1ccc(F)c(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C19H16F5N7/c20-9-5-10(21)7-12(6-9)27-18-30-16(15-13(22)1-2-14(25)28-15)29-17(31-18)26-11-3-4-19(23,24)8-11/h1-2,5-7,11H,3-4,8H2,(H2,25,28)(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
IDH1 R132H


(Homo sapiens (human))
BDBM280002
PNG
(US10028961, Compound 155)
Show SMILES CC(F)(F)c1nc(cs1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C18H20F6N6S/c1-16(19,20)13-27-11(8-31-13)12-28-14(25-9-2-4-17(21,22)6-9)30-15(29-12)26-10-3-5-18(23,24)7-10/h8-10H,2-7H2,1H3,(H2,25,26,28,29,30)
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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 US10028961 (2018)

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


(Homo sapiens (Human))
BDBM280003
PNG
(US10028961, Compound 156)
Show SMILES CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cncc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C13H12ClF6N7/c1-5(12(15,16)17)22-10-25-9(7-3-21-4-8(14)24-7)26-11(27-10)23-6(2)13(18,19)20/h3-6H,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))
BDBM280005
PNG
(US10028961, Compound 158)
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-/m0/s1
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UniChem
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280009
PNG
(US10028961, Compound 162)
Show SMILES CC(C)(C)Nc1nc(Nc2ccnc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N8/c1-18(2,3)30-17-28-15(13-5-4-6-14(26-13)19(20,21)22)27-16(29-17)25-11-7-8-24-12(9-11)10-23/h4-9H,1-3H3,(H2,24,25,27,28,29,30)
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UniChem
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 US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (human))
BDBM280014
PNG
(US10028961, Compound 167)
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
GoogleScholar
AffyNet 
UniChem
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 US10028961 (2018)

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