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Patent code US9957235

Compile Data Set for Download or QSAR

Found 248 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))
BDBM390498
PNG
((�) 3-(6-methyl-2-{[4-(trifluoromethoxy)phe...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)c(C)cc12
Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(3,4)14-16)33-23-12-17(2)18(5-10-24(34)35)13-22(23)32-25(33)31-19-6-8-21(9-7-19)36-27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/m0/s1
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n/an/a 5n/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390662
PNG
(US9957235, 2-247-1 | US9957235, 2-247-2)
Show SMILES COc1cc2n(C3CC(C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1CC(O)=O
Show InChI InChI=1S/C28H37N3O3/c1-17(2)19-7-9-21(10-8-19)29-27-30-23-12-20(13-26(32)33)25(34-6)14-24(23)31(27)22-11-18(3)15-28(4,5)16-22/h7-10,12,14,17-18,22H,11,13,15-16H2,1-6H3,(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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390522
PNG
(US9957235, 2-170 | US9957235, 2-170-1 | US9957235,...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(O)=O)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H33N3O5/c1-16-11-20(15-27(2,3)14-16)30-22-13-23(35-4)18(7-10-24(31)32)12-21(22)29-26(30)28-19-8-5-17(6-9-19)25(33)34/h5-6,8-9,12-13,16,20H,7,10-11,14-15H2,1-4H3,(H,28,29)(H,31,32)(H,33,34)/t16-,20+/m1/s1
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390499
PNG
(US9957235, 2-162-1 | US9957235, 2-162-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)c(C)cc12
Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(3,4)14-16)33-23-12-17(2)18(5-10-24(34)35)13-22(23)32-25(33)31-19-6-8-21(9-7-19)36-27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390522
PNG
(US9957235, 2-170 | US9957235, 2-170-1 | US9957235,...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(O)=O)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H33N3O5/c1-16-11-20(15-27(2,3)14-16)30-22-13-23(35-4)18(7-10-24(31)32)12-21(22)29-26(30)28-19-8-5-17(6-9-19)25(33)34/h5-6,8-9,12-13,16,20H,7,10-11,14-15H2,1-4H3,(H,28,29)(H,31,32)(H,33,34)/t16-,20+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390525
PNG
(US9957235, 2-171 | US9957235, 2-171-1 | US9957235,...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-19-8-6-18(7-9-19)27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390528
PNG
(US9957235, 2-172 | US9957235, 2-172-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C28H37N3O2/c1-18(2)21-8-10-22(11-9-21)29-27-30-24-15-20(7-13-26(32)33)6-12-25(24)31(27)23-14-19(3)16-28(4,5)17-23/h6,8-12,15,18-19,23H,7,13-14,16-17H2,1-5H3,(H,29,30)(H,32,33)/t19-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390647
PNG
(US9957235, 2-237 | US9957235, 2-237-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-7-9-22(10-8-20)29-27-30-24-13-21(14-26(32)33)19(4)12-25(24)31(27)23-11-18(3)15-28(5,6)16-23/h7-10,12-13,17-18,23H,11,14-16H2,1-6H3,(H,29,30)(H,32,33)/t18-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390520
PNG
(US9957235, 2-169-1 | US9957235, 2-169-2)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H32F3N3O4/c1-16-11-19(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-18-6-8-20(9-7-18)37-27(28,29)30/h6-9,12-13,16,19H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,19+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390492
PNG
(US9957235, 2-160 | US9957235, 2-160-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O2/c1-18(2)21-7-10-23(11-8-21)30-28-31-25-15-22(9-12-27(33)34)20(4)14-26(25)32(28)24-13-19(3)16-29(5,6)17-24/h7-8,10-11,14-15,18-19,24H,9,12-13,16-17H2,1-6H3,(H,30,31)(H,33,34)/t19-,24+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390460
PNG
(US9957235, 2-123 | US9957235, 2-123-1)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(OCC(O)=O)ccc12
Show InChI InChI=1S/C25H28F3N3O4/c1-15-10-17(13-24(2,3)12-15)31-21-9-8-19(34-14-22(32)33)11-20(21)30-23(31)29-16-4-6-18(7-5-16)35-25(26,27)28/h4-9,11,15,17H,10,12-14H2,1-3H3,(H,29,30)(H,32,33)/t15-,17+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390492
PNG
(US9957235, 2-160 | US9957235, 2-160-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O2/c1-18(2)21-7-10-23(11-8-21)30-28-31-25-15-22(9-12-27(33)34)20(4)14-26(25)32(28)24-13-19(3)16-29(5,6)17-24/h7-8,10-11,14-15,18-19,24H,9,12-13,16-17H2,1-6H3,(H,30,31)(H,33,34)/t19-,24+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390455
PNG
(US9957235, 2-119-1 | US9957235, 2-119-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C26H30F3N3O2/c1-16-12-20(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-19-8-6-18(7-9-19)26(27,28)29/h4,6-10,13,16,20H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,20+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390499
PNG
(US9957235, 2-162-1 | US9957235, 2-162-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)c(C)cc12
Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(3,4)14-16)33-23-12-17(2)18(5-10-24(34)35)13-22(23)32-25(33)31-19-6-8-21(9-7-19)36-27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390519
PNG
((�) 3-(6-methoxy-2-{[4-(trifluoromethoxy)ph...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H32F3N3O4/c1-16-11-19(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-18-6-8-20(9-7-18)37-27(28,29)30/h6-9,12-13,16,19H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,19+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390597
PNG
(US9957235, 2-213 | US9957235, 2-213-1 | US9957235,...)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(cc3)C(C)C)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1O
Show InChI InChI=1S/C28H37N3O3/c1-17(2)19-7-9-21(10-8-19)29-27-30-23-12-20(13-26(33)34-6)25(32)14-24(23)31(27)22-11-18(3)15-28(4,5)16-22/h7-10,12,14,17-18,22,32H,11,13,15-16H2,1-6H3,(H,29,30)/t18-,22+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390644
PNG
(US9957235, 2-236 | US9957235, 2-236-1 | US9957235,...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CC(O)=O)c(C)cc12
Show InChI InChI=1S/C26H30F3N3O3/c1-15-9-19(14-25(3,4)13-15)32-22-10-16(2)17(12-23(33)34)11-21(22)31-24(32)30-18-5-7-20(8-6-18)35-26(27,28)29/h5-8,10-11,15,19H,9,12-14H2,1-4H3,(H,30,31)(H,33,34)/t15-,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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390460
PNG
(US9957235, 2-123 | US9957235, 2-123-1)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(OCC(O)=O)ccc12
Show InChI InChI=1S/C25H28F3N3O4/c1-15-10-17(13-24(2,3)12-15)31-21-9-8-19(34-14-22(32)33)11-20(21)30-23(31)29-16-4-6-18(7-5-16)35-25(26,27)28/h4-9,11,15,17H,10,12-14H2,1-3H3,(H,29,30)(H,32,33)/t15-,17+/m1/s1
PDB

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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390660
PNG
(US9957235, 2-246-1 | US9957235, 2-246-2)
Show SMILES COc1cc2n(C3CC(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CC(O)=O
Show InChI InChI=1S/C26H30F3N3O4/c1-15-9-18(14-25(2,3)13-15)32-21-12-22(35-4)16(11-23(33)34)10-20(21)31-24(32)30-17-5-7-19(8-6-17)36-26(27,28)29/h5-8,10,12,15,18H,9,11,13-14H2,1-4H3,(H,30,31)(H,33,34)
PDB

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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390475
PNG
(US9957235, 2-133 | US9957235, 2-133-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(OCCCC(O)=O)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O3/c1-19(2)21-8-10-22(11-9-21)30-28-31-25-16-24(35-14-6-7-27(33)34)12-13-26(25)32(28)23-15-20(3)17-29(4,5)18-23/h8-13,16,19-20,23H,6-7,14-15,17-18H2,1-5H3,(H,30,31)(H,33,34)/t20-,23+/m1/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390525
PNG
(US9957235, 2-171 | US9957235, 2-171-1 | US9957235,...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-19-8-6-18(7-9-19)27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390543
PNG
(US9957235, 2-177 | US9957235, 2-177-1 | US9957235,...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1CCC(O)=O
Show InChI InChI=1S/C29H39N3O3/c1-18(2)20-7-10-22(11-8-20)30-28-31-24-14-21(9-12-27(33)34)26(35-6)15-25(24)32(28)23-13-19(3)16-29(4,5)17-23/h7-8,10-11,14-15,18-19,23H,9,12-13,16-17H2,1-6H3,(H,30,31)(H,33,34)/t19-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390615
PNG
(US9957235, 2-221 | US9957235, 2-221-1 | US9957235,...)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(cc3)C(C)C)n(C3CC(C)(C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C30H41N3O3/c1-19(2)20-9-11-22(12-10-20)31-28-32-24-13-21(14-27(34)36-8)26(35-7)15-25(24)33(28)23-16-29(3,4)18-30(5,6)17-23/h9-13,15,19,23H,14,16-18H2,1-8H3,(H,31,32)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390658
PNG
(US9957235, 2-244)
Show SMILES COc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1CC(O)=O
Show InChI InChI=1S/C29H39N3O3/c1-18(2)19-8-10-21(11-9-19)30-27-31-23-12-20(13-26(33)34)25(35-7)14-24(23)32(27)22-15-28(3,4)17-29(5,6)16-22/h8-12,14,18,22H,13,15-17H2,1-7H3,(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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390666
PNG
(US9957235, 2-249-1 | US9957235, 2-249-2)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(F)cc3n2C2CC(C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H34FN3O2/c1-16(2)18-6-8-20(9-7-18)29-26-30-23-11-19(12-25(32)33)22(28)13-24(23)31(26)21-10-17(3)14-27(4,5)15-21/h6-9,11,13,16-17,21H,10,12,14-15H2,1-5H3,(H,29,30)(H,32,33)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390577
PNG
(US9957235, 2-203)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(cc3)C(C)C)n(C3CC(C)(C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C30H41N3O2/c1-19(2)21-9-11-23(12-10-21)31-28-32-25-14-22(15-27(34)35-8)20(3)13-26(25)33(28)24-16-29(4,5)18-30(6,7)17-24/h9-14,19,24H,15-18H2,1-8H3,(H,31,32)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390451
PNG
((�) 3-(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(CCC(O)=O)ccc12
Show InChI InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390653
PNG
(US9957235, 2-239)
Show SMILES Cc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CC(O)=O
Show InChI InChI=1S/C27H32F3N3O3/c1-16-10-22-21(11-17(16)12-23(34)35)32-24(31-18-6-8-20(9-7-18)36-27(28,29)30)33(22)19-13-25(2,3)15-26(4,5)14-19/h6-11,19H,12-15H2,1-5H3,(H,31,32)(H,34,35)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390520
PNG
(US9957235, 2-169-1 | US9957235, 2-169-2)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H32F3N3O4/c1-16-11-19(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-18-6-8-20(9-7-18)37-27(28,29)30/h6-9,12-13,16,19H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,19+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390633
PNG
(US9957235, 2-231)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)ccc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O2/c1-17(2)20-7-9-21(10-8-20)28-26-29-23-13-19(14-25(31)32)6-11-24(23)30(26)22-12-18(3)15-27(4,5)16-22/h6-11,13,17-18,22H,12,14-16H2,1-5H3,(H,28,29)(H,31,32)/t18-,22+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390475
PNG
(US9957235, 2-133 | US9957235, 2-133-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(OCCCC(O)=O)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O3/c1-19(2)21-8-10-22(11-9-21)30-28-31-25-16-24(35-14-6-7-27(33)34)12-13-26(25)32(28)23-15-20(3)17-29(4,5)18-23/h8-13,16,19-20,23H,6-7,14-15,17-18H2,1-5H3,(H,30,31)(H,33,34)/t20-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390463
PNG
(US9957235, 2-124)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(OCC(O)=O)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O4/c1-17(2)34-21-8-6-19(7-9-21)28-26-29-23-13-22(33-16-25(31)32)10-11-24(23)30(26)20-12-18(3)14-27(4,5)15-20/h6-11,13,17-18,20H,12,14-16H2,1-5H3,(H,28,29)(H,31,32)/t18-,20+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390449
PNG
(US9957235, 2-117-1 | US9957235, 2-117-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(N)=O)ccc12
Show InChI InChI=1S/C26H31F3N4O2/c1-16-12-19(15-25(2,3)14-16)33-22-10-4-17(5-11-23(30)34)13-21(22)32-24(33)31-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H2,30,34)(H,31,32)/t16-,19+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390673
PNG
(3-{4-fluoro-2-[(4-isopropoxyphenyl)amino]-1-(3,3,5...)
Show SMILES CC(C)Oc1ccc(Nc2nc3c(F)c(CCC(O)=O)ccc3n2C2CC(C)(C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H38FN3O3/c1-18(2)36-22-11-9-20(10-12-22)31-27-32-26-23(13-7-19(25(26)30)8-14-24(34)35)33(27)21-15-28(3,4)17-29(5,6)16-21/h7,9-13,18,21H,8,14-17H2,1-6H3,(H,31,32)(H,34,35)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390654
PNG
(US9957235, 2-240)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2C2CC(C)(C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O2/c1-18(2)20-8-10-22(11-9-20)30-27-31-24-13-21(14-26(33)34)19(3)12-25(24)32(27)23-15-28(4,5)17-29(6,7)16-23/h8-13,18,23H,14-17H2,1-7H3,(H,30,31)(H,33,34)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390501
PNG
(US9957235, 2-163 | US9957235, 2-163-1 | US9957235,...)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(CCC(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O3/c1-18(2)35-24-10-8-22(9-11-24)30-28-31-25-15-21(7-12-27(33)34)20(4)14-26(25)32(28)23-13-19(3)16-29(5,6)17-23/h8-11,14-15,18-19,23H,7,12-13,16-17H2,1-6H3,(H,30,31)(H,33,34)/t19-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390452
PNG
(US9957235, 2-118-1 | US9957235, 2-118-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)F)cc2)nc2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C26H31F2N3O3/c1-16-12-19(15-26(2,3)14-16)31-22-10-4-17(5-11-23(32)33)13-21(22)30-25(31)29-18-6-8-20(9-7-18)34-24(27)28/h4,6-10,13,16,19,24H,5,11-12,14-15H2,1-3H3,(H,29,30)(H,32,33)/t16-,19+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390631
PNG
(US9957235, 2-230-1 | US9957235, 2-230-2 | US995723...)
Show SMILES CC1(C)CCCC(C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=C)ccc12
Show InChI InChI=1S/C26H30F3N3O2/c1-17(33)6-7-18-8-13-23-22(15-18)31-24(32(23)20-5-4-14-25(2,3)16-20)30-19-9-11-21(12-10-19)34-26(27,28)29/h8-13,15,20,33H,1,4-7,14,16H2,2-3H3,(H,30,31)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390492
PNG
(US9957235, 2-160 | US9957235, 2-160-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O2/c1-18(2)21-7-10-23(11-8-21)30-28-31-25-15-22(9-12-27(33)34)20(4)14-26(25)32(28)24-13-19(3)16-29(5,6)17-24/h7-8,10-11,14-15,18-19,24H,9,12-13,16-17H2,1-6H3,(H,30,31)(H,33,34)/t19-,24+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390501
PNG
(US9957235, 2-163 | US9957235, 2-163-1 | US9957235,...)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(CCC(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O3/c1-18(2)35-24-10-8-22(9-11-24)30-28-31-25-15-21(7-12-27(33)34)20(4)14-26(25)32(28)23-13-19(3)16-29(5,6)17-23/h8-11,14-15,18-19,23H,7,12-13,16-17H2,1-6H3,(H,30,31)(H,33,34)/t19-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390672
PNG
(3-[4-fluoro-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2c(F)c(CCC(O)=O)ccc12
Show InChI InChI=1S/C27H31F4N3O3/c1-25(2)13-18(14-26(3,4)15-25)34-20-11-5-16(6-12-21(35)36)22(28)23(20)33-24(34)32-17-7-9-19(10-8-17)37-27(29,30)31/h5,7-11,18H,6,12-15H2,1-4H3,(H,32,33)(H,35,36)
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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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390528
PNG
(US9957235, 2-172 | US9957235, 2-172-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C28H37N3O2/c1-18(2)21-8-10-22(11-9-21)29-27-30-24-15-20(7-13-26(32)33)6-12-25(24)31(27)23-14-19(3)16-28(4,5)17-23/h6,8-12,15,18-19,23H,7,13-14,16-17H2,1-5H3,(H,29,30)(H,32,33)/t19-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390522
PNG
(US9957235, 2-170 | US9957235, 2-170-1 | US9957235,...)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(O)=O)nc2cc1CCC(O)=O
Show InChI InChI=1S/C27H33N3O5/c1-16-11-20(15-27(2,3)14-16)30-22-13-23(35-4)18(7-10-24(31)32)12-21(22)29-26(30)28-19-8-5-17(6-9-19)25(33)34/h5-6,8-9,12-13,16,20H,7,10-11,14-15H2,1-4H3,(H,28,29)(H,31,32)(H,33,34)/t16-,20+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390430
PNG
(US9957235, 2-9 | {[1-(3,3,5,5-tetramethylcyclohexy...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(OCC(O)=O)ccc12
Show InChI InChI=1S/C26H30F3N3O4/c1-24(2)12-17(13-25(3,4)15-24)32-21-10-9-19(35-14-22(33)34)11-20(21)31-23(32)30-16-5-7-18(8-6-16)36-26(27,28)29/h5-11,17H,12-15H2,1-4H3,(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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390603
PNG
(US9957235, 2-215 | US9957235, 2-215-1 | US9957235,...)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C27H32F3N3O4/c1-16-10-19(15-26(2,3)14-16)33-22-13-23(35-4)17(12-24(34)36-5)11-21(22)32-25(33)31-18-6-8-20(9-7-18)37-27(28,29)30/h6-9,11,13,16,19H,10,12,14-15H2,1-5H3,(H,31,32)/t16-,19+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390637
PNG
(US9957235, 2-233 | US9957235, 2-233-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)ccc3n2[C@@H]2CCCC(C)(C)C2)cc1
Show InChI InChI=1S/C27H35N3O2/c1-18(2)20-9-11-21(12-10-20)28-26-29-23-16-19(8-14-25(31)32)7-13-24(23)30(26)22-6-5-15-27(3,4)17-22/h7,9-13,16,18,22H,5-6,8,14-15,17H2,1-4H3,(H,28,29)(H,31,32)/t22-/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390636
PNG
(US9957235, 2-232)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)ccc3n2C2CC(C)(C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C29H39N3O2/c1-19(2)21-9-11-22(12-10-21)30-27-31-24-15-20(8-14-26(33)34)7-13-25(24)32(27)23-16-28(3,4)18-29(5,6)17-23/h7,9-13,15,19,23H,8,14,16-18H2,1-6H3,(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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390600
PNG
(US9957235, 2-214 | US9957235, 2-214-1 | US9957235,...)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(OC(C)C)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C29H39N3O4/c1-18(2)36-23-10-8-21(9-11-23)30-28-31-24-13-20(14-27(33)35-7)26(34-6)15-25(24)32(28)22-12-19(3)16-29(4,5)17-22/h8-11,13,15,18-19,22H,12,14,16-17H2,1-7H3,(H,30,31)/t19-,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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390647
PNG
(US9957235, 2-237 | US9957235, 2-237-1 | US9957235,...)
Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1
Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-7-9-22(10-8-20)29-27-30-24-13-21(14-26(32)33)19(4)12-25(24)31(27)23-11-18(3)15-28(5,6)16-23/h7-10,12-13,17-18,23H,11,14-16H2,1-6H3,(H,29,30)(H,32,33)/t18-,23+/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 US9957235 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM390513
PNG
(US9957235, 2-167 | US9957235, 2-167-1 | US9957235,...)
Show SMILES COC(=O)CCc1cc2nc(Nc3ccc(cc3)C(C)C)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C30H41N3O3/c1-19(2)21-8-11-23(12-9-21)31-29-32-25-15-22(10-13-28(34)36-7)27(35-6)16-26(25)33(29)24-14-20(3)17-30(4,5)18-24/h8-9,11-12,15-16,19-20,24H,10,13-14,17-18H2,1-7H3,(H,31,32)/t20-,24+/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 US9957235 (2018)

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