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Found 44 hits of Enz. Inhib. data with enzyme = 'Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)' and Substrate = 'to-be-curated'   
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
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303451
PNG
(US10138226, Example 2-1-2 | methyl 2-{[4-(trifluor...)
Show SMILES COC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H28F3N3O3/c1-15-11-18(14-24(2,3)13-15)31-21-12-16(22(32)33-4)5-10-20(21)30-23(31)29-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,30)/t15-,18+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303485
PNG
(BDBM303486 | US10138226, Example 2-20)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N(C)C
Show InChI InChI=1S/C26H31F3N4O2/c1-16-12-19(15-25(2,3)14-16)33-22-13-17(23(34)32(4)5)6-11-21(22)31-24(33)30-18-7-9-20(10-8-18)35-26(27,28)29/h6-11,13,16,19H,12,14-15H2,1-5H3,(H,30,31)/t16-,19+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303485
PNG
(BDBM303486 | US10138226, Example 2-20)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N(C)C
Show InChI InChI=1S/C26H31F3N4O2/c1-16-12-19(15-25(2,3)14-16)33-22-13-17(23(34)32(4)5)6-11-21(22)31-24(33)30-18-7-9-20(10-8-18)35-26(27,28)29/h6-11,13,16,19H,12,14-15H2,1-5H3,(H,30,31)/t16-,19+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303477
PNG
(US10138226, Example 2-16-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H33F3N4O3/c1-18-14-21(17-27(2,3)16-18)35-24-15-19(25(36)34-10-12-37-13-11-34)4-9-23(24)33-26(35)32-20-5-7-22(8-6-20)38-28(29,30)31/h4-9,15,18,21H,10-14,16-17H2,1-3H3,(H,32,33)/t18-,21+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303449
PNG
((+-) methyl 2-{[4-(trifluoromethoxy)phenyl]amino}-...)
Show SMILES COC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H28F3N3O3/c1-15-11-18(14-24(2,3)13-15)31-21-12-16(22(32)33-4)5-10-20(21)30-23(31)29-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,30)/t15-,18+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303459
PNG
((+-) N-ethyl-N-methyl-2-{[4-(trifluoromethoxy)phen...)
Show SMILES CCN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C27H33F3N4O2/c1-6-33(5)24(35)18-7-12-22-23(14-18)34(20-13-17(2)15-26(3,4)16-20)25(32-22)31-19-8-10-21(11-9-19)36-27(28,29)30/h7-12,14,17,20H,6,13,15-16H2,1-5H3,(H,31,32)/t17-,20+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303476
PNG
(US10138226, Example 2-16-1)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H33F3N4O3/c1-18-14-21(17-27(2,3)16-18)35-24-15-19(25(36)34-10-12-37-13-11-34)4-9-23(24)33-26(35)32-20-5-7-22(8-6-20)38-28(29,30)31/h4-9,15,18,21H,10-14,16-17H2,1-3H3,(H,32,33)/t18-,21+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303487
PNG
(US10138226, Example 2-20-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N(C)C
Show InChI InChI=1S/C26H31F3N4O2/c1-16-12-19(15-25(2,3)14-16)33-22-13-17(23(34)32(4)5)6-11-21(22)31-24(33)30-18-7-9-20(10-8-18)35-26(27,28)29/h6-11,13,16,19H,12,14-15H2,1-5H3,(H,30,31)/t16-,19+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303459
PNG
((+-) N-ethyl-N-methyl-2-{[4-(trifluoromethoxy)phen...)
Show SMILES CCN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C27H33F3N4O2/c1-6-33(5)24(35)18-7-12-22-23(14-18)34(20-13-17(2)15-26(3,4)16-20)25(32-22)31-19-8-10-21(11-9-19)36-27(28,29)30/h7-12,14,17,20H,6,13,15-16H2,1-5H3,(H,31,32)/t17-,20+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303462
PNG
(BDBM303464 | US10138226, Example 2-7)
Show SMILES CCN(CC)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C28H35F3N4O2/c1-6-34(7-2)25(36)19-8-13-23-24(15-19)35(21-14-18(3)16-27(4,5)17-21)26(33-23)32-20-9-11-22(12-10-20)37-28(29,30)31/h8-13,15,18,21H,6-7,14,16-17H2,1-5H3,(H,32,33)/t18-,21+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303469
PNG
(US10138226, Example 2-9)
Show SMILES COC(=O)CN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C28H33F3N4O4/c1-17-12-20(15-27(2,3)14-17)35-23-13-18(25(37)34(4)16-24(36)38-5)6-11-22(23)33-26(35)32-19-7-9-21(10-8-19)39-28(29,30)31/h6-11,13,17,20H,12,14-16H2,1-5H3,(H,32,33)/t17-,20+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303449
PNG
((+-) methyl 2-{[4-(trifluoromethoxy)phenyl]amino}-...)
Show SMILES COC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H28F3N3O3/c1-15-11-18(14-24(2,3)13-15)31-21-12-16(22(32)33-4)5-10-20(21)30-23(31)29-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,30)/t15-,18+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303462
PNG
(BDBM303464 | US10138226, Example 2-7)
Show SMILES CCN(CC)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C28H35F3N4O2/c1-6-34(7-2)25(36)19-8-13-23-24(15-19)35(21-14-18(3)16-27(4,5)17-21)26(33-23)32-20-9-11-22(12-10-20)37-28(29,30)31/h8-13,15,18,21H,6-7,14,16-17H2,1-5H3,(H,32,33)/t18-,21+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303465
PNG
(US10138226, Example 2-7-2)
Show SMILES CCN(CC)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C28H35F3N4O2/c1-6-34(7-2)25(36)19-8-13-23-24(15-19)35(21-14-18(3)16-27(4,5)17-21)26(33-23)32-20-9-11-22(12-10-20)37-28(29,30)31/h8-13,15,18,21H,6-7,14,16-17H2,1-5H3,(H,32,33)/t18-,21+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303461
PNG
(N-ethyl-N-methyl-2-{[4-(trifluoromethoxy)phenyl]am...)
Show SMILES CCN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C27H33F3N4O2/c1-6-33(5)24(35)18-7-12-22-23(14-18)34(20-13-17(2)15-26(3,4)16-20)25(32-22)31-19-8-10-21(11-9-19)36-27(28,29)30/h7-12,14,17,20H,6,13,15-16H2,1-5H3,(H,31,32)/t17-,20+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303466
PNG
(BDBM303467 | US10138226, Example 2-8)
Show SMILES CNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H29F3N4O2/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)29-4)5-10-20(21)31-23(32)30-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,33)(H,30,31)/t15-,18+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303494
PNG
(US10138226, Example 2-25)
Show SMILES C[C@@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N(C)C
Show InChI InChI=1S/C26H31F3N4O2/c1-16-12-19(15-25(2,3)14-16)33-22-13-17(23(34)32(4)5)6-11-21(22)31-24(33)30-18-7-9-20(10-8-18)35-26(27,28)29/h6-11,13,16,19H,12,14-15H2,1-5H3,(H,30,31)/t16-,19-/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303453
PNG
((+-) methyl 2-{[4-(trifluoromethoxy)phenyl]amino}-...)
Show SMILES COC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H28F3N3O3/c1-15-11-18(14-24(2,3)13-15)31-21-12-16(22(32)33-4)5-10-20(21)30-23(31)29-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,30)/t15-,18-/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303478
PNG
(BDBM303479 | US10138226, Example 2-17)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C29H35F3N4O2/c1-19-15-22(18-28(2,3)17-19)36-25-16-20(26(37)35-13-5-4-6-14-35)7-12-24(25)34-27(36)33-21-8-10-23(11-9-21)38-29(30,31)32/h7-12,16,19,22H,4-6,13-15,17-18H2,1-3H3,(H,33,34)/t19-,22+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303466
PNG
(BDBM303467 | US10138226, Example 2-8)
Show SMILES CNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H29F3N4O2/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)29-4)5-10-20(21)31-23(32)30-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,33)(H,30,31)/t15-,18+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303478
PNG
(BDBM303479 | US10138226, Example 2-17)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C29H35F3N4O2/c1-19-15-22(18-28(2,3)17-19)36-25-16-20(26(37)35-13-5-4-6-14-35)7-12-24(25)34-27(36)33-21-8-10-23(11-9-21)38-29(30,31)32/h7-12,16,19,22H,4-6,13-15,17-18H2,1-3H3,(H,33,34)/t19-,22+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303468
PNG
(US10138226, Example 2-8-2)
Show SMILES CNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H29F3N4O2/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)29-4)5-10-20(21)31-23(32)30-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,33)(H,30,31)/t15-,18+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303480
PNG
(US10138226, Example 2-17-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C29H35F3N4O2/c1-19-15-22(18-28(2,3)17-19)36-25-16-20(26(37)35-13-5-4-6-14-35)7-12-24(25)34-27(36)33-21-8-10-23(11-9-21)38-29(30,31)32/h7-12,16,19,22H,4-6,13-15,17-18H2,1-3H3,(H,33,34)/t19-,22+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303454
PNG
((+-) 2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(cis...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-14-10-17(13-23(2,3)12-14)30-20-11-15(21(31)32)4-9-19(20)29-22(30)28-16-5-7-18(8-6-16)33-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,28,29)(H,31,32)/t14-,17+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303473
PNG
(US10138226, Example 2-13)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NCCO
Show InChI InChI=1S/C26H31F3N4O3/c1-16-12-19(15-25(2,3)14-16)33-22-13-17(23(35)30-10-11-34)4-9-21(22)32-24(33)31-18-5-7-20(8-6-18)36-26(27,28)29/h4-9,13,16,19,34H,10-12,14-15H2,1-3H3,(H,30,35)(H,31,32)/t16-,19+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303457
PNG
((+-) 2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(tra...)
Show SMILES C[C@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-14-10-17(13-23(2,3)12-14)30-20-11-15(21(31)32)4-9-19(20)29-22(30)28-16-5-7-18(8-6-16)33-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,28,29)(H,31,32)/t14-,17-/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303456
PNG
(2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(cis)-3,3...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-14-10-17(13-23(2,3)12-14)30-20-11-15(21(31)32)4-9-19(20)29-22(30)28-16-5-7-18(8-6-16)33-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,28,29)(H,31,32)/t14-,17+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303481
PNG
(BDBM303482 | US10138226, Example 2-18)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C29H35F3N4O4S/c1-18-14-22(17-28(2,3)16-18)36-25-15-19(26(37)33-21-10-12-41(38,39)13-11-21)4-9-24(25)35-27(36)34-20-5-7-23(8-6-20)40-29(30,31)32/h4-9,15,18,21-22H,10-14,16-17H2,1-3H3,(H,33,37)(H,34,35)/t18-,22+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303470
PNG
(US10138226, Example 2-10)
Show SMILES COC(=O)CN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C28H33F3N4O4/c1-17-12-20(15-27(2,3)14-17)35-23-13-18(25(37)34(4)16-24(36)38-5)6-11-22(23)33-26(35)32-19-7-9-21(10-8-19)39-28(29,30)31/h6-11,13,17,20H,12,14-16H2,1-5H3,(H,32,33)/t17-,20+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303471
PNG
(US10138226, Example 2-11)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C27H31F3N4O4/c1-16-11-19(14-26(2,3)13-16)34-22-12-17(24(37)33(4)15-23(35)36)5-10-21(22)32-25(34)31-18-6-8-20(9-7-18)38-27(28,29)30/h5-10,12,16,19H,11,13-15H2,1-4H3,(H,31,32)(H,35,36)/t16-,19+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303454
PNG
((+-) 2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(cis...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-14-10-17(13-23(2,3)12-14)30-20-11-15(21(31)32)4-9-19(20)29-22(30)28-16-5-7-18(8-6-16)33-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,28,29)(H,31,32)/t14-,17+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303493
PNG
(US10138226, Example 2-24)
Show SMILES CCOC(=O)CCN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C30H37F3N4O4/c1-6-40-26(38)13-14-36(5)27(39)20-7-12-24-25(16-20)37(22-15-19(2)17-29(3,4)18-22)28(35-24)34-21-8-10-23(11-9-21)41-30(31,32)33/h7-12,16,19,22H,6,13-15,17-18H2,1-5H3,(H,34,35)/t19-,22+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303492
PNG
(US10138226, Example 2-23-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C27H31F3N4O2/c1-16-12-20(15-26(2,3)14-16)34-23-13-17(24(35)31-18-5-6-18)4-11-22(23)33-25(34)32-19-7-9-21(10-8-19)36-27(28,29)30/h4,7-11,13,16,18,20H,5-6,12,14-15H2,1-3H3,(H,31,35)(H,32,33)/t16-,20+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303490
PNG
(BDBM303491 | US10138226, Example 2-23)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C27H31F3N4O2/c1-16-12-20(15-26(2,3)14-16)34-23-13-17(24(35)31-18-5-6-18)4-11-22(23)33-25(34)32-19-7-9-21(10-8-19)36-27(28,29)30/h4,7-11,13,16,18,20H,5-6,12,14-15H2,1-3H3,(H,31,35)(H,32,33)/t16-,20+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303490
PNG
(BDBM303491 | US10138226, Example 2-23)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C27H31F3N4O2/c1-16-12-20(15-26(2,3)14-16)34-23-13-17(24(35)31-18-5-6-18)4-11-22(23)33-25(34)32-19-7-9-21(10-8-19)36-27(28,29)30/h4,7-11,13,16,18,20H,5-6,12,14-15H2,1-3H3,(H,31,35)(H,32,33)/t16-,20+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303489
PNG
(US10138226, Example 2-22)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C30H30F4N4O2/c1-18-14-23(17-29(2,3)16-18)38-26-15-19(27(39)35-21-7-5-20(31)6-8-21)4-13-25(26)37-28(38)36-22-9-11-24(12-10-22)40-30(32,33)34/h4-13,15,18,23H,14,16-17H2,1-3H3,(H,35,39)(H,36,37)/t18-,23+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303488
PNG
(US10138226, Example 2-21)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C31H32F4N4O2/c1-19-14-24(17-30(2,3)16-19)39-27-15-21(28(40)36-18-20-4-7-22(32)8-5-20)6-13-26(27)38-29(39)37-23-9-11-25(12-10-23)41-31(33,34)35/h4-13,15,19,24H,14,16-18H2,1-3H3,(H,36,40)(H,37,38)/t19-,24+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303484
PNG
(US10138226, Example 2-19)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C25H29F3N4O4S/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)31-37(4,34)35)5-10-20(21)30-23(32)29-17-6-8-19(9-7-17)36-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,30)(H,31,33)/t15-,18+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303483
PNG
(US10138226, Example 2-18-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C29H35F3N4O4S/c1-18-14-22(17-28(2,3)16-18)36-25-15-19(26(37)33-21-10-12-41(38,39)13-11-21)4-9-24(25)35-27(36)34-20-5-7-23(8-6-20)40-29(30,31)32/h4-9,15,18,21-22H,10-14,16-17H2,1-3H3,(H,33,37)(H,34,35)/t18-,22+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303481
PNG
(BDBM303482 | US10138226, Example 2-18)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C29H35F3N4O4S/c1-18-14-22(17-28(2,3)16-18)36-25-15-19(26(37)33-21-10-12-41(38,39)13-11-21)4-9-24(25)35-27(36)34-20-5-7-23(8-6-20)40-29(30,31)32/h4-9,15,18,21-22H,10-14,16-17H2,1-3H3,(H,33,37)(H,34,35)/t18-,22+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303475
PNG
(US10138226, Example 2-15)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C27H31F3N4O4/c1-16-12-19(15-26(2,3)14-16)34-22-13-17(24(37)31-11-10-23(35)36)4-9-21(22)33-25(34)32-18-5-7-20(8-6-18)38-27(28,29)30/h4-9,13,16,19H,10-12,14-15H2,1-3H3,(H,31,37)(H,32,33)(H,35,36)/t16-,19+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303474
PNG
(US10138226, Example 2-14)
Show SMILES COC(=O)CCNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C28H33F3N4O4/c1-17-13-20(16-27(2,3)15-17)35-23-14-18(25(37)32-12-11-24(36)38-4)5-10-22(23)34-26(35)33-19-6-8-21(9-7-19)39-28(29,30)31/h5-10,14,17,20H,11-13,15-16H2,1-4H3,(H,32,37)(H,33,34)/t17-,20+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303458
PNG
((+-) N-cyclopentyl-2-{[4-(trifluoromethoxy)phenyl]...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CCCC1
Show InChI InChI=1S/C29H35F3N4O2/c1-18-14-22(17-28(2,3)16-18)36-25-15-19(26(37)33-20-6-4-5-7-20)8-13-24(25)35-27(36)34-21-9-11-23(12-10-21)38-29(30,31)32/h8-13,15,18,20,22H,4-7,14,16-17H2,1-3H3,(H,33,37)(H,34,35)/t18-,22+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM303472
PNG
(US10138226, Example 2-12)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H29F3N4O4/c1-15-10-18(13-25(2,3)12-15)33-21-11-16(23(36)30-14-22(34)35)4-9-20(21)32-24(33)31-17-5-7-19(8-6-17)37-26(27,28)29/h4-9,11,15,18H,10,12-14H2,1-3H3,(H,30,36)(H,31,32)(H,34,35)/t15-,18+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10138226 (2018)

More data for this
Ligand-Target Pair