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Compile Data Set for Download or QSAR

Found 32 hits of ph data with Target = 'idh2 r140q 16 hr nadph/ nadp'   
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 16 hr nadph/ nadp


()
BDBM280081
PNG
(US10028961, Compound 234 | US10172864, Compound 23...)
Show SMILES C[C@@H](Nc1nc(NC2C3CC4CC(C3)CC2C4)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C24H29F3N6/c1-12(15-5-6-15)28-22-31-21(18-3-2-4-19(29-18)24(25,26)27)32-23(33-22)30-20-16-8-13-7-14(10-16)11-17(20)9-13/h2-4,12-17,20H,5-11H2,1H3,(H2,28,30,31,32,33)/t12-,13?,14?,16?,17?,20?/m1/s1
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n/an/a 550n/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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280091
PNG
(US10028961, Compound 244 | US10172864, Compound 24...)
Show SMILES CC(C)(O)CNc1nc(Nc2cc(F)cc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H17F4N7O/c1-19(2,32)10-26-17-29-16(14-4-3-5-15(28-14)20(22,23)24)30-18(31-17)27-13-7-11(9-25)6-12(21)8-13/h3-8,32H,10H2,1-2H3,(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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280092
PNG
(US10028961, Compound 245 | US10172864, Compound 24...)
Show SMILES CC(C)(C)Nc1nc(Nc2cc(F)cc(c2)C#N)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H16F4N8/c1-18(2,3)31-17-29-15(14-25-5-4-13(27-14)19(21,22)23)28-16(30-17)26-12-7-10(9-24)6-11(20)8-12/h4-8H,1-3H3,(H2,26,28,29,30,31)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280093
PNG
(US10028961, Compound 246 | US10172864, Compound 24...)
Show SMILES C[C@@H](Nc1nc(NCCOc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H23F3N6O/c1-14(15-10-11-15)27-21-30-19(17-8-5-9-18(28-17)22(23,24)25)29-20(31-21)26-12-13-32-16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H2,26,27,29,30,31)/t14-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280095
PNG
(US10028961, Compound 248 | US10172864, Compound 24...)
Show SMILES CC(C)(O)CNc1nc(Nc2cccc(Cl)c2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H18ClF3N6O/c1-18(2,30)10-24-16-27-15(13-7-4-8-14(26-13)19(21,22)23)28-17(29-16)25-12-6-3-5-11(20)9-12/h3-9,30H,10H2,1-2H3,(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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280097
PNG
(US10028961, Compound 250 | US10172864, Compound 25...)
Show SMILES CC(CC#N)Nc1nc(Nc2ccnc(c2)C(C)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H17F5N8/c1-11(6-8-26)28-17-31-16(13-4-3-5-14(30-13)20(23,24)25)32-18(33-17)29-12-7-9-27-15(10-12)19(2,21)22/h3-5,7,9-11H,6H2,1-2H3,(H2,27,28,29,31,32,33)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280102
PNG
(US10028961, Compound 255 | US10172864, Compound 25...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCOCC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H23F5N6O/c21-19(22)8-4-12(5-9-19)26-17-29-16(14-2-1-3-15(28-14)20(23,24)25)30-18(31-17)27-13-6-10-32-11-7-13/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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280109
PNG
(US10028961, Compound 262 | US10172864, Compound 26...)
Show SMILES C[C@@H](Nc1nc(NCC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C19H22F3N7/c1-11(12-7-8-12)25-17-28-15(13-5-4-6-14(26-13)19(20,21)22)27-16(29-17)24-10-18(2,3)9-23/h4-6,11-12H,7-8,10H2,1-3H3,(H2,24,25,27,28,29)/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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280110
PNG
(US10028961, Compound 263 | US10172864, Compound 26...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(C2)C(=O)c2ccccc2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H24F5N7O/c26-24(27)11-9-16(13-24)31-22-34-20(18-7-4-8-19(33-18)25(28,29)30)35-23(36-22)32-17-10-12-37(14-17)21(38)15-5-2-1-3-6-15/h1-8,16-17H,9-14H2,(H2,31,32,34,35,36)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280112
PNG
(US10028961, Compound 265 | US10172864, Compound 26...)
Show SMILES FC1(F)CC2(CC(C2)Nc2nc(NC3CC4(C3)CC(F)(F)C4)nc(n2)-c2cccc(Cl)n2)C1
Show InChI InChI=1S/C22H23ClF4N6/c23-15-3-1-2-14(30-15)16-31-17(28-12-4-19(5-12)8-21(24,25)9-19)33-18(32-16)29-13-6-20(7-13)10-22(26,27)11-20/h1-3,12-13H,4-11H2,(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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280113
PNG
(US10028961, Compound 266 | US10172864, Compound 26...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H26F5N7O2S/c1-36(34,35)33-11-7-14(8-12-33)28-19-31-17(15-3-2-4-16(29-15)21(24,25)26)30-18(32-19)27-13-5-9-20(22,23)10-6-13/h2-4,13-14H,5-12H2,1H3,(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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280114
PNG
(US10028961, Compound 267 | US10172864, Compound 26...)
Show SMILES CC(C)(CNc1nc(Nc2ccnc(c2)C(C)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H19F5N8/c1-19(2,10-27)11-29-17-32-16(13-5-4-6-14(31-13)21(24,25)26)33-18(34-17)30-12-7-8-28-15(9-12)20(3,22)23/h4-9H,11H2,1-3H3,(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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280115
PNG
(US10028961, Compound 268 | US10172864, Compound 26...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1nccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C18H22F3N7/c1-9(11-3-4-11)23-16-26-15(14-22-8-7-13(25-14)18(19,20)21)27-17(28-16)24-10(2)12-5-6-12/h7-12H,3-6H2,1-2H3,(H2,23,24,26,27,28)/t9-,10-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280118
PNG
(US10028961, Compound 271 | US10172864, Compound 27...)
Show SMILES CC(CC#N)Nc1nc(NC(C)C[N+]#[C-])nc(n1)-c1cccc(Cl)n1
Show InChI InChI=1S/C16H17ClN8/c1-10(7-8-18)20-15-23-14(12-5-4-6-13(17)22-12)24-16(25-15)21-11(2)9-19-3/h4-6,10-11H,7,9H2,1-2H3,(H2,20,21,23,24,25)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280121
PNG
(US10028961, Compound 274 | US10172864, Compound 27...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C25H32F5N7O2/c1-23(2,3)39-22(38)37-13-9-16(10-14-37)32-21-35-19(17-5-4-6-18(33-17)25(28,29)30)34-20(36-21)31-15-7-11-24(26,27)12-8-15/h4-6,15-16H,7-14H2,1-3H3,(H2,31,32,34,35,36)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280136
PNG
(US10028961, Compound 289 | US10172864, Compound 28...)
Show SMILES CC(C)(C)Nc1nc(Nc2ccnc(c2)C(C)(F)F)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H19F5N8/c1-17(2,3)32-16-30-14(13-26-8-6-11(28-13)19(22,23)24)29-15(31-16)27-10-5-7-25-12(9-10)18(4,20)21/h5-9H,1-4H3,(H2,25,27,29,30,31,32)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280145
PNG
(US10028961, Compound 298 | US10172864, Compound 29...)
Show SMILES CC(C)Nc1nc(Nc2ccnc(c2)C(C)(F)F)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H17F5N8/c1-9(2)26-15-29-14(13-25-7-5-11(28-13)18(21,22)23)30-16(31-15)27-10-4-6-24-12(8-10)17(3,19)20/h4-9H,1-3H3,(H2,24,26,27,29,30,31)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280172
PNG
(US10028961, Compound 325 | US10172864, Compound 32...)
Show SMILES CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H16F5N7O/c1-17(2,31)8-25-15-28-14(13-24-4-3-12(27-13)18(21,22)23)29-16(30-15)26-11-6-9(19)5-10(20)7-11/h3-7,31H,8H2,1-2H3,(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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280255
PNG
(US10028961, Compound 414 | US10172864, Compound 41...)
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
Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280257
PNG
(US10028961, Compound 416 | US10172864, Compound 41...)
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-/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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280259
PNG
(US10028961, Compound 418)
Show SMILES CC(Nc1cc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C18H19ClF5N5/c1-10(18(22,23)24)25-14-9-15(26-11-5-7-17(20,21)8-6-11)29-16(28-14)12-3-2-4-13(19)27-12/h2-4,9-11H,5-8H2,1H3,(H2,25,26,28,29)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


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

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


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

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


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

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM279974
PNG
(US10028961, Compound 127 | US10172864, Compound 12...)
Show SMILES FC1(F)CCC(C1)Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(Cl)n1
Show InChI InChI=1S/C22H19ClF2N8/c23-17-3-1-2-15(30-17)18-31-19(33-20(32-18)29-14-4-6-22(24,25)11-14)28-13-5-9-27-16(10-13)21(12-26)7-8-21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,27,28,29,31,32,33)
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
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)
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
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
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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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280088
PNG
(US10028961, Compound 241 | US10172864, Compound 24...)
Show SMILES CC(C)OCC(C)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H27F3N6O/c1-11(2)30-10-12(3)24-18-27-17(15-6-5-7-16(26-15)20(21,22)23)28-19(29-18)25-13(4)14-8-9-14/h5-7,11-14H,8-10H2,1-4H3,(H2,24,25,27,28,29)/t12?,13-/m1/s1
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Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair