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Compile Data Set for Download or QSAR

Found 780 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))
BDBM279854
PNG
(US10028961, Compound 1 | US10172864, Compound 1)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2)nc(NCC2CC2)n1
Show InChI InChI=1S/C17H19F3N6/c18-17(19,20)13-3-1-2-12(23-13)14-24-15(21-8-10-4-5-10)26-16(25-14)22-9-11-6-7-11/h1-3,10-11H,4-9H2,(H2,21,22,24,25,26)
PDB

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PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

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


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

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US Patent
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))
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
PDB

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UniChem
US Patent
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))
BDBM280020
PNG
(US10028961, Compound 173 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C18H14F8N8/c19-16(20)4-1-10(8-16)29-14-30-13(28-9-2-5-27-12(7-9)18(24,25)26)31-15(32-14)34-6-3-11(33-34)17(21,22)23/h2-3,5-7,10H,1,4,8H2,(H2,27,28,29,30,31,32)
PDB

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US Patent
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))
BDBM280021
PNG
(US10028961, Compound 174 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C21H18F5N9/c1-27-19(6-7-19)15-10-12(3-8-28-15)29-16-31-17(30-13-2-5-20(22,23)11-13)33-18(32-16)35-9-4-14(34-35)21(24,25)26/h3-4,8-10,13H,2,5-7,11H2,(H2,28,29,30,31,32,33)/t13-/m0/s1
PDB

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US Patent
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))
BDBM280022
PNG
(US10028961, Compound 175 | US10172864, Compound 17...)
Show SMILES Fc1cc(Nc2nc(NCC3CC3)nc(n2)-c2cccc(n2)C(F)(F)F)cc(c1)[N+]#[C-]
Show InChI InChI=1S/C20H15F4N7/c1-25-13-7-12(21)8-14(9-13)27-19-30-17(29-18(31-19)26-10-11-5-6-11)15-3-2-4-16(28-15)20(22,23)24/h2-4,7-9,11H,5-6,10H2,(H2,26,27,29,30,31)
PDB

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US Patent
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))
BDBM280023
PNG
(US10028961, Compound 176 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H22F7N7/c20-17(21)6-1-11(2-7-17)27-14-29-15(28-12-3-8-18(22,23)9-4-12)31-16(30-14)33-10-5-13(32-33)19(24,25)26/h5,10-12H,1-4,6-9H2,(H2,27,28,29,30,31)
PDB

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PC sid
UniChem
US Patent
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))
BDBM280024
PNG
(US10028961, Compound 177 | US10172864, Compound 17...)
Show SMILES CC(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)
PDB

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PC sid
UniChem
US Patent
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))
BDBM280025
PNG
(US10028961, Compound 178 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(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)
PDB

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PC sid
UniChem
US Patent
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))
BDBM280026
PNG
(US10028961, Compound 179 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(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)
PDB

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PC sid
UniChem
US Patent
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))
BDBM280028
PNG
(US10028961, Compound 181 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
Show InChI InChI=1S/C20H15F5N8/c21-19(22)6-4-12(9-19)29-18-32-16(14-2-1-3-15(30-14)20(23,24)25)31-17(33-18)28-11-5-7-27-13(8-11)10-26/h1-3,5,7-8,12H,4,6,9H2,(H2,27,28,29,31,32,33)
PDB

GoogleScholar
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PC sid
UniChem
US Patent
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))
BDBM280029
PNG
(US10028961, Compound 182 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2Cc3ccc(Cl)cc3C2)n1
Show InChI InChI=1S/C23H20ClF5N6/c24-14-5-4-12-9-16(10-13(12)8-14)31-21-34-19(17-2-1-3-18(32-17)23(27,28)29)33-20(35-21)30-15-6-7-22(25,26)11-15/h1-5,8,15-16H,6-7,9-11H2,(H2,30,31,33,34,35)
PDB

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PC sid
UniChem
US Patent
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))
BDBM280030
PNG
(US10028961, Compound 183 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1csc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H21F7N6S/c20-17(21)5-1-10(2-6-17)27-15-30-13(14-29-12(9-33-14)19(24,25)26)31-16(32-15)28-11-3-7-18(22,23)8-4-11/h9-11H,1-8H2,(H2,27,28,30,31,32)
PDB

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UniChem
US Patent
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))
BDBM280031
PNG
(US10028961, Compound 184 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(C2)c2ccccc2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H25F5N6/c26-24(27)12-11-18(14-24)32-23-35-21(19-7-4-8-20(33-19)25(28,29)30)34-22(36-23)31-17-10-9-16(13-17)15-5-2-1-3-6-15/h1-8,16-18H,9-14H2,(H2,31,32,34,35,36)
PDB

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US Patent
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))
BDBM280032
PNG
(US10028961, Compound 185 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(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)
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))
BDBM280033
PNG
(US10028961, Compound 186 | US10172864, Compound 18...)
Show SMILES FC(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H23F6N7/c21-15(22)13-9-27-10-14(30-13)16-31-17(28-11-1-5-19(23,24)6-2-11)33-18(32-16)29-12-3-7-20(25,26)8-4-12/h9-12,15H,1-8H2,(H2,28,29,31,32,33)
PDB

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PC cid
PC sid
UniChem
US Patent
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))
BDBM280034
PNG
(US10028961, Compound 187 | US10172864, Compound 18...)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C18H18F6N6/c1-16(19,20)12-4-2-3-11(27-12)13-28-14(25-9-5-17(21,22)6-9)30-15(29-13)26-10-7-18(23,24)8-10/h2-4,9-10H,5-8H2,1H3,(H2,25,26,28,29,30)
PDB

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US Patent
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))
BDBM280036
PNG
(US10028961, Compound 189 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C24H21F5N8/c1-30-22(10-11-22)18-13-15(7-12-31-18)33-21-36-19(16-3-2-4-17(34-16)24(27,28)29)35-20(37-21)32-14-5-8-23(25,26)9-6-14/h2-4,7,12-14H,5-6,8-11H2,(H2,31,32,33,35,36,37)
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))
BDBM280037
PNG
(US10028961, Compound 190 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C19H13F8N7/c20-17(21)7-10(8-17)30-16-33-14(11-2-1-3-12(31-11)18(22,23)24)32-15(34-16)29-9-4-5-28-13(6-9)19(25,26)27/h1-6,10H,7-8H2,(H2,28,29,30,32,33,34)
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))
BDBM280038
PNG
(US10028961, Compound 191 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C21H21F7N6/c22-19(23)5-4-11(8-19)29-16-32-15(13-2-1-3-14(31-13)21(26,27)28)33-17(34-16)30-12-6-18(7-12)9-20(24,25)10-18/h1-3,11-12H,4-10H2,(H2,29,30,32,33,34)
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))
BDBM280039
PNG
(US10028961, Compound 192 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C21H17F8N7/c22-19(23)7-4-11(5-8-19)31-17-34-16(13-2-1-3-14(33-13)20(24,25)26)35-18(36-17)32-12-6-9-30-15(10-12)21(27,28)29/h1-3,6,9-11H,4-5,7-8H2,(H2,30,31,32,34,35,36)
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))
BDBM280040
PNG
(US10028961, Compound 193 | US10172864, Compound 19...)
Show SMILES C[C@@H](Nc1nc(NC(C2CC2)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C21H25F3N6/c1-11(12-5-6-12)25-19-28-18(15-3-2-4-16(26-15)21(22,23)24)29-20(30-19)27-17(13-7-8-13)14-9-10-14/h2-4,11-14,17H,5-10H2,1H3,(H2,25,27,28,29,30)/t11-/m1/s1
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))
BDBM280042
PNG
(US10028961, Compound 195 | US10172864, Compound 19...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2nc(F)ccc2F)c1
Show InChI InChI=1S/C18H12F6N6/c19-8-3-9(20)5-10(4-8)25-16-28-15(14-12(21)1-2-13(22)27-14)29-17(30-16)26-11-6-18(23,24)7-11/h1-5,11H,6-7H2,(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))
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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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))
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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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))
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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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))
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
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))
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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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))
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
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))
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 US10028961 (2018)

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 US10028961 (2018)

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 US10028961 (2018)

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 US10028961 (2018)

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 US10028961 (2018)

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 US10028961 (2018)

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 US10028961 (2018)

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 US10028961 (2018)

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 US10028961 (2018)

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


(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
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))
BDBM280062
PNG
(US10028961, Compound 215 | US10172864, Compound 21...)
Show SMILES FC(F)(F)CNc1nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])nc(n1)-c1cccc(Cl)n1
Show InChI InChI=1S/C19H14ClF3N8/c1-24-18(6-7-18)13-9-11(5-8-25-13)27-17-30-15(12-3-2-4-14(20)28-12)29-16(31-17)26-10-19(21,22)23/h2-5,8-9H,6-7,10H2,(H2,25,26,27,29,30,31)
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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))
BDBM280063
PNG
(US10028961, Compound 216 | US10172864, Compound 21...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CC(F)(F)C2)nc(NCC2CC(F)(F)C2)n1
Show InChI InChI=1S/C19H19F7N6/c20-17(21)4-10(5-17)8-27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-9-11-6-18(22,23)7-11/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))
BDBM280064
PNG
(US10028961, Compound 217 | US10172864, Compound 21...)
Show SMILES CC(Nc1nc(Nc2ccnc(c2)-c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17F6N7/c1-13(22(24,25)26)31-20-34-19(16-8-5-9-18(33-16)23(27,28)29)35-21(36-20)32-15-10-11-30-17(12-15)14-6-3-2-4-7-14/h2-13H,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))
BDBM280065
PNG
(US10028961, Compound 218 | US10172864, Compound 21...)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C22H26F6N6/c1-20(23,24)16-4-2-3-15(31-16)17-32-18(29-13-5-9-21(25,26)10-6-13)34-19(33-17)30-14-7-11-22(27,28)12-8-14/h2-4,13-14H,5-12H2,1H3,(H2,29,30,32,33,34)
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))
BDBM280068
PNG
(US10028961, Compound 221 | US10172864, Compound 22...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NCC2CC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C20H15F8N7/c21-18(22)7-10(8-18)9-30-16-33-15(12-2-1-3-13(32-12)19(23,24)25)34-17(35-16)31-11-4-5-29-14(6-11)20(26,27)28/h1-6,10H,7-9H2,(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))
BDBM280070
PNG
(US10028961, Compound 223 | US10172864, Compound 22...)
Show SMILES FC(F)(F)c1nc(cs1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C19H21F7N6S/c20-17(21)5-1-10(2-6-17)27-15-30-13(12-9-33-14(29-12)19(24,25)26)31-16(32-15)28-11-3-7-18(22,23)8-4-11/h9-11H,1-8H2,(H2,27,28,30,31,32)
PDB

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UniChem
US Patent
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))
BDBM280071
PNG
(US10028961, Compound 224 | US10172864, Compound 22...)
Show SMILES FC(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C21H24F6N6/c22-16(23)14-2-1-3-15(30-14)17-31-18(28-12-4-8-20(24,25)9-5-12)33-19(32-17)29-13-6-10-21(26,27)11-7-13/h1-3,12-13,16H,4-11H2,(H2,28,29,31,32,33)
PDB

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US Patent
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))
BDBM280073
PNG
(US10028961, Compound 226 | US10172864, Compound 22...)
Show SMILES FC(F)(F)CNc1nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H14F6N8/c1-27-18(6-7-18)14-9-11(5-8-28-14)30-17-33-15(32-16(34-17)29-10-19(21,22)23)12-3-2-4-13(31-12)20(24,25)26/h2-5,8-9H,6-7,10H2,(H2,28,29,30,32,33,34)
PDB

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US Patent
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))
BDBM280075
PNG
(US10028961, Compound 228 | US10172864, Compound 22...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C22H23F7N6/c23-20(24)6-4-12(5-7-20)30-17-33-16(14-2-1-3-15(32-14)22(27,28)29)34-18(35-17)31-13-8-19(9-13)10-21(25,26)11-19/h1-3,12-13H,4-11H2,(H2,30,31,33,34,35)
PDB

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PC sid
UniChem
US Patent
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))
BDBM280076
PNG
(US10028961, Compound 229 | US10172864, Compound 22...)
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)
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))
BDBM280077
PNG
(US10028961, Compound 230 | US10172864, Compound 23...)
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-
PDB

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UniChem
US Patent
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
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