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Patent code US9951027

Compile Data Set for Download or QSAR

Found 390 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))
BDBM389389
PNG
(US9951027, 2-155-2)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O
Show InChI InChI=1S/C27H35N3O3/c1-16(2)18-7-9-19(10-8-18)28-26-29-22-12-21(25(31)32)24(33-6)13-23(22)30(26)20-11-17(3)14-27(4,5)15-20/h7-10,12-13,16-17,20H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,20+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389364
PNG
(US9951027, 2-144-2)
Show SMILES CC(C)c1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O2/c1-16(2)19-7-9-20(10-8-19)28-26-29-23-13-22(25(31)32)18(4)12-24(23)30(26)21-11-17(3)14-27(5,6)15-21/h7-10,12-13,16-17,21H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,21+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389290
PNG
(US9951027, 2-76-2)
Show SMILES CC(C)c1ccc(Nc2nc3cc(ccc3n2[C@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C26H33N3O2/c1-16(2)18-6-9-20(10-7-18)27-25-28-22-13-19(24(30)31)8-11-23(22)29(25)21-12-17(3)14-26(4,5)15-21/h6-11,13,16-17,21H,12,14-15H2,1-5H3,(H,27,28)(H,30,31)/t17-,21-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389324
PNG
(US9951027, 2-95-2 | US9951027, 2-96-2)
Show SMILES COC(=O)[C@H](C)N(C)C(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C29H35F3N4O4/c1-17-13-21(16-28(3,4)15-17)36-24-12-7-19(25(37)35(5)18(2)26(38)39-6)14-23(24)34-27(36)33-20-8-10-22(11-9-20)40-29(30,31)32/h7-12,14,17-18,21H,13,15-16H2,1-6H3,(H,33,34)/t17-,18+,21+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389381
PNG
((+-) 6-methoxy-2-{[4-(trifluoromethoxy)phenyl]amin...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C25H28F3N3O4/c1-14-9-16(13-24(2,3)12-14)31-20-11-21(34-4)18(22(32)33)10-19(20)30-23(31)29-15-5-7-17(8-6-15)35-25(26,27)28/h5-8,10-11,14,16H,9,12-13H2,1-4H3,(H,29,30)(H,32,33)/t14-,16+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389336
PNG
(US9951027, 2-102-2)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(=O)N(C)C(O)=O)c(Cl)cc12
Show InChI InChI=1S/C26H28ClF3N4O4/c1-14-9-16(13-25(2,3)12-14)34-21-11-19(27)18(22(35)33(4)24(36)37)10-20(21)32-23(34)31-15-5-7-17(8-6-15)38-26(28,29)30/h5-8,10-11,14,16H,9,12-13H2,1-4H3,(H,31,32)(H,36,37)/t14-,16+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389172
PNG
(6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[4-...)
Show SMILES COc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C26H30F3N3O4/c1-24(2)12-16(13-25(3,4)14-24)32-20-11-21(35-5)18(22(33)34)10-19(20)31-23(32)30-15-6-8-17(9-7-15)36-26(27,28)29/h6-11,16H,12-14H2,1-5H3,(H,30,31)(H,33,34)
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n/an/a 6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389223
PNG
(US9951027, 2-42-2 | US9951027, 2-75-1 | US9951027,...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-14-10-17(13-23(2,3)12-14)30-20-9-4-15(21(31)32)11-19(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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n/an/a 6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389208
PNG
(6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[4-(...)
Show SMILES Cc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C26H30F3N3O3/c1-15-10-21-20(11-19(15)22(33)34)31-23(30-16-6-8-18(9-7-16)35-26(27,28)29)32(21)17-12-24(2,3)14-25(4,5)13-17/h6-11,17H,12-14H2,1-5H3,(H,30,31)(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389358
PNG
(6-methoxy-2-{[4-(propan-2-yl)phenyl]amino}-1-(3,3,...)
Show SMILES COc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O
Show InChI InChI=1S/C28H37N3O3/c1-17(2)18-8-10-19(11-9-18)29-26-30-22-12-21(25(32)33)24(34-7)13-23(22)31(26)20-14-27(3,4)16-28(5,6)15-20/h8-13,17,20H,14-16H2,1-7H3,(H,29,30)(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389392
PNG
(US9951027, 2-156-2)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1C(O)=O
Show InChI InChI=1S/C25H28F3N3O3/c1-14-9-17(13-24(2,3)12-14)31-20-11-21(34-4)18(22(32)33)10-19(20)30-23(31)29-16-7-5-15(6-8-16)25(26,27)28/h5-8,10-11,14,17H,9,12-13H2,1-4H3,(H,29,30)(H,32,33)/t14-,17+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389381
PNG
((+-) 6-methoxy-2-{[4-(trifluoromethoxy)phenyl]amin...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C25H28F3N3O4/c1-14-9-16(13-24(2,3)12-14)31-20-11-21(34-4)18(22(32)33)10-19(20)30-23(31)29-15-5-7-17(8-6-15)35-25(26,27)28/h5-8,10-11,14,16H,9,12-13H2,1-4H3,(H,29,30)(H,32,33)/t14-,16+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389387
PNG
(US9951027, 2-155)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O
Show InChI InChI=1S/C27H35N3O3/c1-16(2)18-7-9-19(10-8-18)28-26-29-22-12-21(25(31)32)24(33-6)13-23(22)30(26)20-11-17(3)14-27(4,5)15-20/h7-10,12-13,16-17,20H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,20+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389229
PNG
(US9951027, 2-48)
Show SMILES CC(C)c1ccc(Nc2nc3c(F)c(ccc3n2C2CC(C)(C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C27H34FN3O2/c1-16(2)17-7-9-18(10-8-17)29-25-30-23-21(12-11-20(22(23)28)24(32)33)31(25)19-13-26(3,4)15-27(5,6)14-19/h7-12,16,19H,13-15H2,1-6H3,(H,29,30)(H,32,33)
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389362
PNG
(US9951027, 2-144 | US9951027, 2-144-1)
Show SMILES CC(C)c1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O2/c1-16(2)19-7-9-20(10-8-19)28-26-29-23-13-22(25(31)32)18(4)12-24(23)30(26)21-11-17(3)14-27(5,6)15-21/h7-10,12-13,16-17,21H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,21+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389288
PNG
(US9951027, 2-76)
Show SMILES CC(C)c1ccc(Nc2nc3cc(ccc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C26H33N3O2/c1-16(2)18-6-9-20(10-7-18)27-25-28-22-13-19(24(30)31)8-11-23(22)29(25)21-12-17(3)14-26(4,5)15-21/h6-11,13,16-17,21H,12,14-15H2,1-5H3,(H,27,28)(H,30,31)/t17-,21+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389355
PNG
(2-{[4-(trifluoromethoxy)phenyl]amino}-1-(3,3,5,5-t...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H28F3N3O3/c1-23(2)12-17(13-24(3,4)14-23)31-20-10-5-15(21(32)33)11-19(20)30-22(31)29-16-6-8-18(9-7-16)34-25(26,27)28/h5-11,17H,12-14H2,1-4H3,(H,29,30)(H,32,33)
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389476
PNG
(US9951027, 3-110)
Show SMILES CCOc1ccc2nc(Nc3ccc(cc3)C(C)C)n(C3CC(C)(C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C28H39N3O/c1-8-32-23-13-14-24-25(15-23)31(22-16-27(4,5)18-28(6,7)17-22)26(30-24)29-21-11-9-20(10-12-21)19(2)3/h9-15,19,22H,8,16-18H2,1-7H3,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389490
PNG
(US9951027, 3-124)
Show SMILES CC(C)c1ccc(Nc2nc3c(F)c(ccc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C26H32FN3O2/c1-15(2)17-6-8-18(9-7-17)28-25-29-23-21(11-10-20(22(23)27)24(31)32)30(25)19-12-16(3)13-26(4,5)14-19/h6-11,15-16,19H,12-14H2,1-5H3,(H,28,29)(H,31,32)/t16-,19+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389395
PNG
(US9951027, 2-157-2)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1C(N)=O
Show InChI InChI=1S/C25H29F3N4O2/c1-14-9-17(13-24(2,3)12-14)32-20-11-21(34-4)18(22(29)33)10-19(20)31-23(32)30-16-7-5-15(6-8-16)25(26,27)28/h5-8,10-11,14,17H,9,12-13H2,1-4H3,(H2,29,33)(H,30,31)/t14-,17+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389390
PNG
(US9951027, 2-156)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1C(O)=O
Show InChI InChI=1S/C25H28F3N3O3/c1-14-9-17(13-24(2,3)12-14)31-20-11-21(34-4)18(22(32)33)10-19(20)30-23(31)29-16-7-5-15(6-8-16)25(26,27)28/h5-8,10-11,14,17H,9,12-13H2,1-4H3,(H,29,30)(H,32,33)/t14-,17+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389294
PNG
(US9951027, 2-81)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(Cl)cc12
Show InChI InChI=1S/C24H25ClF3N3O3/c1-13-8-15(12-23(2,3)11-13)31-20-10-18(25)17(21(32)33)9-19(20)30-22(31)29-14-4-6-16(7-5-14)34-24(26,27)28/h4-7,9-10,13,15H,8,11-12H2,1-3H3,(H,29,30)(H,32,33)/t13-,15+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389388
PNG
(US9951027, 2-155-1)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O
Show InChI InChI=1S/C27H35N3O3/c1-16(2)18-7-9-19(10-8-18)28-26-29-22-12-21(25(31)32)24(33-6)13-23(22)30(26)20-11-17(3)14-27(4,5)15-20/h7-10,12-13,16-17,20H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,20+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389227
PNG
(4-fluoro-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[4-(...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2c(F)c(ccc12)C(O)=O
Show InChI InChI=1S/C25H27F4N3O3/c1-23(2)11-15(12-24(3,4)13-23)32-18-10-9-17(21(33)34)19(26)20(18)31-22(32)30-14-5-7-16(8-6-14)35-25(27,28)29/h5-10,15H,11-13H2,1-4H3,(H,30,31)(H,33,34)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389223
PNG
(US9951027, 2-42-2 | US9951027, 2-75-1 | US9951027,...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-14-10-17(13-23(2,3)12-14)30-20-9-4-15(21(31)32)11-19(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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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389339
PNG
(US9951027, 2-105 | US9951027, 2-105-2)
Show SMILES C[C@@H](N(C)C(=O)c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1F)C(O)=O
Show InChI InChI=1S/C28H32F4N4O4/c1-15-10-18(14-27(3,4)13-15)36-23-12-21(29)20(24(37)35(5)16(2)25(38)39)11-22(23)34-26(36)33-17-6-8-19(9-7-17)40-28(30,31)32/h6-9,11-12,15-16,18H,10,13-14H2,1-5H3,(H,33,34)(H,38,39)/t15-,16+,18+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389339
PNG
(US9951027, 2-105 | US9951027, 2-105-2)
Show SMILES C[C@@H](N(C)C(=O)c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1F)C(O)=O
Show InChI InChI=1S/C28H32F4N4O4/c1-15-10-18(14-27(3,4)13-15)36-23-12-21(29)20(24(37)35(5)16(2)25(38)39)11-22(23)34-26(36)33-17-6-8-19(9-7-17)40-28(30,31)32/h6-9,11-12,15-16,18H,10,13-14H2,1-5H3,(H,33,34)(H,38,39)/t15-,16+,18+/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389361
PNG
(US9951027, 2-143-2)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@H]2C[C@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O3/c1-16(2)33-21-9-7-19(8-10-21)28-26-29-23-13-22(25(31)32)18(4)12-24(23)30(26)20-11-17(3)14-27(5,6)15-20/h7-10,12-13,16-17,20H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389369
PNG
((+-) methyl 6-methoxy-2-{[4-(trifluoromethoxy)phen...)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C26H30F3N3O4/c1-15-10-17(14-25(2,3)13-15)32-21-12-22(34-4)19(23(33)35-5)11-20(21)31-24(32)30-16-6-8-18(9-7-16)36-26(27,28)29/h6-9,11-12,15,17H,10,13-14H2,1-5H3,(H,30,31)/t15-,17+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389375
PNG
(US9951027, 2-151)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(cc3)C(C)C)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C28H37N3O3/c1-17(2)19-8-10-20(11-9-19)29-27-30-23-13-22(26(32)34-7)25(33-6)14-24(23)31(27)21-12-18(3)15-28(4,5)16-21/h8-11,13-14,17-18,21H,12,15-16H2,1-7H3,(H,29,30)/t18-,21+/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389494
PNG
(US9951027, 3-128)
Show SMILES Cc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2c1
Show InChI InChI=1S/C25H30F3N3O/c1-16-6-11-20-21(12-16)31(18-13-23(2,3)15-24(4,5)14-18)22(30-20)29-17-7-9-19(10-8-17)32-25(26,27)28/h6-12,18H,13-15H2,1-5H3,(H,29,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389359
PNG
(US9951027, 2-143)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O3/c1-16(2)33-21-9-7-19(8-10-21)28-26-29-23-13-22(25(31)32)18(4)12-24(23)30(26)20-11-17(3)14-27(5,6)15-20/h7-10,12-13,16-17,20H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,20+/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389377
PNG
(US9951027, 2-151-2)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(cc3)C(C)C)n([C@H]3C[C@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C28H37N3O3/c1-17(2)19-8-10-20(11-9-19)29-27-30-23-13-22(26(32)34-7)25(33-6)14-24(23)31(27)21-12-18(3)15-28(4,5)16-21/h8-11,13-14,17-18,21H,12,15-16H2,1-7H3,(H,29,30)/t18-,21-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389506
PNG
(US9951027, 3-140)
Show SMILES CC(C)c1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@@H]2CCCC(C)(C)C2)cc1
Show InChI InChI=1S/C26H33N3O2/c1-16(2)18-8-10-19(11-9-18)27-25-28-22-14-21(24(30)31)17(3)13-23(22)29(25)20-7-6-12-26(4,5)15-20/h8-11,13-14,16,20H,6-7,12,15H2,1-5H3,(H,27,28)(H,30,31)/t20-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389221
PNG
((+-) 6-methyl-2-{[4-(trifluoromethoxy)phenyl]amino...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(C)cc12
Show InChI InChI=1S/C25H28F3N3O3/c1-14-9-17(13-24(3,4)12-14)31-21-10-15(2)19(22(32)33)11-20(21)30-23(31)29-16-5-7-18(8-6-16)34-25(26,27)28/h5-8,10-11,14,17H,9,12-13H2,1-4H3,(H,29,30)(H,32,33)/t14-,17+/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389222
PNG
(US9951027, 2-42-1)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(C)cc12
Show InChI InChI=1S/C25H28F3N3O3/c1-14-9-17(13-24(3,4)12-14)31-21-10-15(2)19(22(32)33)11-20(21)30-23(31)29-16-5-7-18(8-6-16)34-25(26,27)28/h5-8,10-11,14,17H,9,12-13H2,1-4H3,(H,29,30)(H,32,33)/t14-,17+/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389334
PNG
(US9951027, 2-102)
Show SMILES C[C@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(=O)N(C)C(O)=O)c(Cl)cc12
Show InChI InChI=1S/C26H28ClF3N4O4/c1-14-9-16(13-25(2,3)12-14)34-21-11-19(27)18(22(35)33(4)24(36)37)10-20(21)32-23(34)31-15-5-7-17(8-6-15)38-26(28,29)30/h5-8,10-11,14,16H,9,12-13H2,1-4H3,(H,31,32)(H,36,37)/t14-,16-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389362
PNG
(US9951027, 2-144 | US9951027, 2-144-1)
Show SMILES CC(C)c1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O2/c1-16(2)19-7-9-20(10-8-19)28-26-29-23-13-22(25(31)32)18(4)12-24(23)30(26)21-11-17(3)14-27(5,6)15-21/h7-10,12-13,16-17,21H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,21+/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389539
PNG
(US9951027, 3-172)
Show SMILES CC(C)c1ccc(Nc2nc3c(F)cc(C)cc3n2C2CC(C)(C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H36FN3/c1-17(2)19-8-10-20(11-9-19)29-25-30-24-22(28)12-18(3)13-23(24)31(25)21-14-26(4,5)16-27(6,7)15-21/h8-13,17,21H,14-16H2,1-7H3,(H,29,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389291
PNG
(US9951027, 2-77)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C24H26F3N3O2/c1-14-10-18(13-23(2,3)12-14)30-20-9-4-15(21(31)32)11-19(20)29-22(30)28-17-7-5-16(6-8-17)24(25,26)27/h4-9,11,14,18H,10,12-13H2,1-3H3,(H,28,29)(H,31,32)/t14-,18+/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389503
PNG
(US9951027, 3-137)
Show SMILES COCc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O
Show InChI InChI=1S/C29H39N3O3/c1-18(2)19-8-10-21(11-9-19)30-27-31-24-13-23(26(33)34)20(16-35-7)12-25(24)32(27)22-14-28(3,4)17-29(5,6)15-22/h8-13,18,22H,14-17H2,1-7H3,(H,30,31)(H,33,34)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389218
PNG
(US9951027, 2-41 | US9951027, 2-41-2)
Show SMILES CC(C)c1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O2/c1-16(2)19-7-9-20(10-8-19)28-26-29-23-13-22(25(31)32)18(4)12-24(23)30(26)21-11-17(3)14-27(5,6)15-21/h7-10,12-13,16-17,21H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,21+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389386
PNG
(US9951027, 2-154-2)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C25H29F2N3O4/c1-14-9-16(13-25(2,3)12-14)30-20-11-21(33-4)18(22(31)32)10-19(20)29-24(30)28-15-5-7-17(8-6-15)34-23(26)27/h5-8,10-11,14,16,23H,9,12-13H2,1-4H3,(H,28,29)(H,31,32)/t14-,16+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389228
PNG
(US9951027, 2-47)
Show SMILES CC(C)Oc1ccc(Nc2nc3c(F)c(ccc3n2C2CC(C)(C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C27H34FN3O3/c1-16(2)34-19-9-7-17(8-10-19)29-25-30-23-21(12-11-20(22(23)28)24(32)33)31(25)18-13-26(3,4)15-27(5,6)14-18/h7-12,16,18H,13-15H2,1-6H3,(H,29,30)(H,32,33)
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389316
PNG
(US9951027, 2-91-2)
Show SMILES CCc1ccc(Nc2nc3cc(ccc3n2[C@@H]2C[C@@H](C)CC(C)(C)C2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C27H36N4O/c1-7-19-8-11-21(12-9-19)28-26-29-23-15-20(25(32)30(5)6)10-13-24(23)31(26)22-14-18(2)16-27(3,4)17-22/h8-13,15,18,22H,7,14,16-17H2,1-6H3,(H,28,29)/t18-,22-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389331
PNG
(US9951027, 2-100 | US9951027, 2-103)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(=O)N(C)CC(O)=O)c(Cl)cc12
Show InChI InChI=1S/C27H30ClF3N4O4/c1-15-9-17(13-26(2,3)12-15)35-22-11-20(28)19(24(38)34(4)14-23(36)37)10-21(22)33-25(35)32-16-5-7-18(8-6-16)39-27(29,30)31/h5-8,10-11,15,17H,9,12-14H2,1-4H3,(H,32,33)(H,36,37)/t15-,17+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389394
PNG
(US9951027, 2-157-1)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1C(N)=O
Show InChI InChI=1S/C25H29F3N4O2/c1-14-9-17(13-24(2,3)12-14)32-20-11-21(34-4)18(22(29)33)10-19(20)31-23(32)30-16-7-5-15(6-8-16)25(26,27)28/h5-8,10-11,14,17H,9,12-13H2,1-4H3,(H2,29,33)(H,30,31)/t14-,17+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389400
PNG
(US9951027, 3-43)
Show SMILES COc1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2c1
Show InChI InChI=1S/C26H35N3O/c1-17(2)19-7-9-20(10-8-19)27-25-28-23-14-22(30-6)11-12-24(23)29(25)21-13-18(3)15-26(4,5)16-21/h7-12,14,17-18,21H,13,15-16H2,1-6H3,(H,27,28)/t18-,21+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389454
PNG
(US9951027, 3-93)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(N)=O)c(C)cc12
Show InChI InChI=1S/C25H29F3N4O2/c1-14-9-17(13-24(3,4)12-14)32-21-10-15(2)19(22(29)33)11-20(21)31-23(32)30-16-5-7-18(8-6-16)34-25(26,27)28/h5-8,10-11,14,17H,9,12-13H2,1-4H3,(H2,29,33)(H,30,31)/t14-,17+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM389504
PNG
(US9951027, 3-138)
Show SMILES Cc1cc2n([C@@H]3CCCC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C24H26F3N3O3/c1-14-11-20-19(12-18(14)21(31)32)29-22(30(20)16-5-4-10-23(2,3)13-16)28-15-6-8-17(9-7-15)33-24(25,26)27/h6-9,11-12,16H,4-5,10,13H2,1-3H3,(H,28,29)(H,31,32)/t16-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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 US9951027 (2018)

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