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Patent code US10179123

Compile Data Set for Download or QSAR
Found 89 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))
BDBM321235
PNG
(US10179123, Example 2-44 | US10179123, Example 2-4...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(C)cc12
Show InChI InChI=1S/C26H29F3N2O3/c1-15-9-18(14-25(3,4)13-15)31-22-10-16(2)20(24(32)33)12-21(22)30-23(31)11-17-5-7-19(8-6-17)34-26(27,28)29/h5-8,10,12,15,18H,9,11,13-14H2,1-4H3,(H,32,33)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321240
PNG
(US10179123, Example 2-45-2)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C26H29F3N2O4/c1-15-9-17(14-25(2,3)13-15)31-21-12-22(34-4)19(24(32)33)11-20(21)30-23(31)10-16-5-7-18(8-6-16)35-26(27,28)29/h5-8,11-12,15,17H,9-10,13-14H2,1-4H3,(H,32,33)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321251
PNG
(US10179123, Example 2-50-2)
Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C28H33F3N2O4/c1-17-11-20(16-27(2,3)15-17)33-23-14-24(36-4)19(7-10-26(34)35)13-22(23)32-25(33)12-18-5-8-21(9-6-18)37-28(29,30)31/h5-6,8-9,13-14,17,20H,7,10-12,15-16H2,1-4H3,(H,34,35)/t17-,20+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321238
PNG
(US10179123, Example 2-45 | US10179123, Example 2-4...)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C26H29F3N2O4/c1-15-9-17(14-25(2,3)13-15)31-21-12-22(34-4)19(24(32)33)11-20(21)30-23(31)10-16-5-7-18(8-6-16)35-26(27,28)29/h5-8,11-12,15,17H,9-10,13-14H2,1-4H3,(H,32,33)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321249
PNG
(US10179123, Example 2-50 | US10179123, Example 2-5...)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C28H33F3N2O4/c1-17-11-20(16-27(2,3)15-17)33-23-14-24(36-4)19(7-10-26(34)35)13-22(23)32-25(33)12-18-5-8-21(9-6-18)37-28(29,30)31/h5-6,8-9,13-14,17,20H,7,10-12,15-16H2,1-4H3,(H,34,35)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321224
PNG
(US10179123, Example 2-33)
Show SMILES CC(C)c1ccc(Cc2nc3cc(ccc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C27H34N2O2/c1-17(2)20-8-6-19(7-9-20)13-25-28-23-14-21(26(30)31)10-11-24(23)29(25)22-12-18(3)15-27(4,5)16-22/h6-11,14,17-18,22H,12-13,15-16H2,1-5H3,(H,30,31)/t18-,22+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321228
PNG
(US10179123, Example 2-37)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(cc2)C(C)(C)C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C28H36N2O2/c1-18-13-22(17-28(5,6)16-18)30-24-12-9-20(26(31)32)15-23(24)29-25(30)14-19-7-10-21(11-8-19)27(2,3)4/h7-12,15,18,22H,13-14,16-17H2,1-6H3,(H,31,32)/t18-,22+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321214
PNG
(2-[4-(trifluoromethoxy)benzyl]-1-[(cis)-3,3,5-trim...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H27F3N2O3/c1-15-10-18(14-24(2,3)13-15)30-21-9-6-17(23(31)32)12-20(21)29-22(30)11-16-4-7-19(8-5-16)33-25(26,27)28/h4-9,12,15,18H,10-11,13-14H2,1-3H3,(H,31,32)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321235
PNG
(US10179123, Example 2-44 | US10179123, Example 2-4...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(C)cc12
Show InChI InChI=1S/C26H29F3N2O3/c1-15-9-18(14-25(3,4)13-15)31-22-10-16(2)20(24(32)33)12-21(22)30-23(31)11-17-5-7-19(8-6-17)34-26(27,28)29/h5-8,10,12,15,18H,9,11,13-14H2,1-4H3,(H,32,33)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321194
PNG
(US10179123, Example 2-19 | US10179123, Example 2-1...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C27H31F3N2O4/c1-16-10-18(15-26(2,3)14-16)32-22-13-23(34-4)20(25(33)35-5)12-21(22)31-24(32)11-17-6-8-19(9-7-17)36-27(28,29)30/h6-9,12-13,16,18H,10-11,14-15H2,1-5H3/t16-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321247
PNG
(US10179123, Example 2-48)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2c(F)c(ccc12)C(O)=O
Show InChI InChI=1S/C26H28F4N2O3/c1-24(2)12-16(13-25(3,4)14-24)32-19-10-9-18(23(33)34)21(27)22(19)31-20(32)11-15-5-7-17(8-6-15)35-26(28,29)30/h5-10,16H,11-14H2,1-4H3,(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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321252
PNG
(3-{4-fluoro-1-(3,3,5,5-tetramethylcyclohexyl)-2-[4...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2c(F)c(CCC(O)=O)ccc12
Show InChI InChI=1S/C28H32F4N2O3/c1-26(2)14-19(15-27(3,4)16-26)34-21-11-7-18(8-12-23(35)36)24(29)25(21)33-22(34)13-17-5-9-20(10-6-17)37-28(30,31)32/h5-7,9-11,19H,8,12-16H2,1-4H3,(H,35,36)
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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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321248
PNG
(US10179123, Example 2-49)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)c(C)cc12
Show InChI InChI=1S/C28H33F3N2O3/c1-17-11-21(16-27(3,4)15-17)33-24-12-18(2)20(7-10-26(34)35)14-23(24)32-25(33)13-19-5-8-22(9-6-19)36-28(29,30)31/h5-6,8-9,12,14,17,21H,7,10-11,13,15-16H2,1-4H3,(H,34,35)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321212
PNG
((+-) 2-[4-(trifluoromethoxy)benzyl]-1-[(cis)-3,3,5...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H27F3N2O3/c1-15-10-18(14-24(2,3)13-15)30-21-9-6-17(23(31)32)12-20(21)29-22(30)11-16-4-7-19(8-5-16)33-25(26,27)28/h4-9,12,15,18H,10-11,13-14H2,1-3H3,(H,31,32)/t15-,18+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321209
PNG
(US10179123, Example 2-28 | US10179123, Example 2-2...)
Show SMILES COC(=O)CCc1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C29H35F3N2O4/c1-18-12-21(17-28(2,3)16-18)34-24-15-25(36-4)20(8-11-27(35)37-5)14-23(24)33-26(34)13-19-6-9-22(10-7-19)38-29(30,31)32/h6-7,9-10,14-15,18,21H,8,11-13,16-17H2,1-5H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321225
PNG
(US10179123, Example 2-34)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H27F3N2O2/c1-15-10-19(14-24(2,3)13-15)30-21-9-6-17(23(31)32)12-20(21)29-22(30)11-16-4-7-18(8-5-16)25(26,27)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,31,32)/t15-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321241
PNG
(US10179123, Example 2-46 | US10179123, Example 2-4...)
Show SMILES CC(C)Oc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C28H33F3N2O4/c1-16(2)36-24-13-23-22(12-21(24)26(34)35)32-25(33(23)19-10-17(3)14-27(4,5)15-19)11-18-6-8-20(9-7-18)37-28(29,30)31/h6-9,12-13,16-17,19H,10-11,14-15H2,1-5H3,(H,34,35)/t17-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321237
PNG
(US10179123, Example 2-44-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(C)cc12
Show InChI InChI=1S/C26H29F3N2O3/c1-15-9-18(14-25(3,4)13-15)31-22-10-16(2)20(24(32)33)12-21(22)30-23(31)11-17-5-7-19(8-6-17)34-26(27,28)29/h5-8,10,12,15,18H,9,11,13-14H2,1-4H3,(H,32,33)/t15-,18+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321173
PNG
((+-) 2-[4-(trifluoromethoxy)phenyl]-1-[(cis)-3,3,5...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(nc2cc(ccc12)C(O)=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H25F3N2O3/c1-14-10-17(13-23(2,3)12-14)29-20-9-6-16(22(30)31)11-19(20)28-21(29)15-4-7-18(8-5-15)32-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,30,31)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321191
PNG
(US10179123, Example 2-18 | US10179123, Example 2-1...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C27H31F3N2O3/c1-16-10-19(15-26(3,4)14-16)32-23-11-17(2)21(25(33)34-5)13-22(23)31-24(32)12-18-6-8-20(9-7-18)35-27(28,29)30/h6-9,11,13,16,19H,10,12,14-15H2,1-5H3/t16-,19+/m1/s1
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n/an/a 140n/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321212
PNG
((+-) 2-[4-(trifluoromethoxy)benzyl]-1-[(cis)-3,3,5...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H27F3N2O3/c1-15-10-18(14-24(2,3)13-15)30-21-9-6-17(23(31)32)12-20(21)29-22(30)11-16-4-7-19(8-5-16)33-25(26,27)28/h4-9,12,15,18H,10-11,13-14H2,1-3H3,(H,31,32)/t15-,18+/m1/s1
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n/an/a 140n/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321191
PNG
(US10179123, Example 2-18 | US10179123, Example 2-1...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C27H31F3N2O3/c1-16-10-19(15-26(3,4)14-16)32-23-11-17(2)21(25(33)34-5)13-22(23)31-24(32)12-18-6-8-20(9-7-18)35-27(28,29)30/h6-9,11,13,16,19H,10,12,14-15H2,1-5H3/t16-,19+/m1/s1
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n/an/a 150n/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321194
PNG
(US10179123, Example 2-19 | US10179123, Example 2-1...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C27H31F3N2O4/c1-16-10-18(15-26(2,3)14-16)32-22-13-23(34-4)20(25(33)35-5)12-21(22)31-24(32)11-17-6-8-19(9-7-17)36-27(28,29)30/h6-9,12-13,16,18H,10-11,14-15H2,1-5H3/t16-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321208
PNG
(US10179123, Example 2-27)
Show SMILES COC(=O)CCc1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C29H35F3N2O3/c1-18-12-22(17-28(3,4)16-18)34-25-13-19(2)21(8-11-27(35)36-5)15-24(25)33-26(34)14-20-6-9-23(10-7-20)37-29(30,31)32/h6-7,9-10,13,15,18,22H,8,11-12,14,16-17H2,1-5H3/t18-,22+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321209
PNG
(US10179123, Example 2-28 | US10179123, Example 2-2...)
Show SMILES COC(=O)CCc1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C29H35F3N2O4/c1-18-12-21(17-28(2,3)16-18)34-24-15-25(36-4)20(8-11-27(35)37-5)14-23(24)33-26(34)13-19-6-9-22(10-7-19)38-29(30,31)32/h6-7,9-10,14-15,18,21H,8,11-13,16-17H2,1-5H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321173
PNG
((+-) 2-[4-(trifluoromethoxy)phenyl]-1-[(cis)-3,3,5...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(nc2cc(ccc12)C(O)=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H25F3N2O3/c1-14-10-17(13-23(2,3)12-14)29-20-9-6-16(22(30)31)11-19(20)28-21(29)15-4-7-18(8-5-15)32-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,30,31)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321249
PNG
(US10179123, Example 2-50 | US10179123, Example 2-5...)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C28H33F3N2O4/c1-17-11-20(16-27(2,3)15-17)33-23-14-24(36-4)19(7-10-26(34)35)13-22(23)32-25(33)12-18-5-8-21(9-6-18)37-28(29,30)31/h5-6,8-9,13-14,17,20H,7,10-12,15-16H2,1-4H3,(H,34,35)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321221
PNG
(US10179123, Example 2-32 | US10179123, Example 2-3...)
Show SMILES CC(C)Oc1ccc(Cc2nc3cc(ccc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C27H34N2O3/c1-17(2)32-22-9-6-19(7-10-22)13-25-28-23-14-20(26(30)31)8-11-24(23)29(25)21-12-18(3)15-27(4,5)16-21/h6-11,14,17-18,21H,12-13,15-16H2,1-5H3,(H,30,31)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321238
PNG
(US10179123, Example 2-45 | US10179123, Example 2-4...)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C26H29F3N2O4/c1-15-9-17(14-25(2,3)13-15)31-21-12-22(34-4)19(24(32)33)11-20(21)30-23(31)10-16-5-7-18(8-6-16)35-26(27,28)29/h5-8,11-12,15,17H,9-10,13-14H2,1-4H3,(H,32,33)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321223
PNG
(US10179123, Example 2-32-2)
Show SMILES CC(C)Oc1ccc(Cc2nc3cc(ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C27H34N2O3/c1-17(2)32-22-9-6-19(7-10-22)13-25-28-23-14-20(26(30)31)8-11-24(23)29(25)21-12-18(3)15-27(4,5)16-21/h6-11,14,17-18,21H,12-13,15-16H2,1-5H3,(H,30,31)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321241
PNG
(US10179123, Example 2-46 | US10179123, Example 2-4...)
Show SMILES CC(C)Oc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C28H33F3N2O4/c1-16(2)36-24-13-23-22(12-21(24)26(34)35)32-25(33(23)19-10-17(3)14-27(4,5)15-19)11-18-6-8-20(9-7-18)37-28(29,30)31/h6-9,12-13,16-17,19H,10-11,14-15H2,1-5H3,(H,34,35)/t17-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321180
PNG
(US10179123, Example 2-7)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(cc3)C(C)C)nc2c1
Show InChI InChI=1S/C28H36N2O2/c1-18(2)21-9-7-20(8-10-21)14-26-29-24-15-22(27(31)32-6)11-12-25(24)30(26)23-13-19(3)16-28(4,5)17-23/h7-12,15,18-19,23H,13-14,16-17H2,1-6H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321206
PNG
(US10179123, Example 2-25)
Show SMILES CC(C)c1ccc(Cc2nc3cc(ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)C#N)cc1
Show InChI InChI=1S/C27H33N3/c1-18(2)22-9-6-20(7-10-22)14-26-29-24-13-21(17-28)8-11-25(24)30(26)23-12-19(3)15-27(4,5)16-23/h6-11,13,18-19,23H,12,14-16H2,1-5H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321175
PNG
(2-[4-(trifluoromethoxy)phenyl]-1-[(cis)-3,3,5-trim...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(nc2cc(ccc12)C(O)=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H25F3N2O3/c1-14-10-17(13-23(2,3)12-14)29-20-9-6-16(22(30)31)11-19(20)28-21(29)15-4-7-18(8-5-15)32-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,30,31)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321221
PNG
(US10179123, Example 2-32 | US10179123, Example 2-3...)
Show SMILES CC(C)Oc1ccc(Cc2nc3cc(ccc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C27H34N2O3/c1-17(2)32-22-9-6-19(7-10-22)13-25-28-23-14-20(26(30)31)8-11-24(23)29(25)21-12-18(3)15-27(4,5)16-21/h6-11,14,17-18,21H,12-13,15-16H2,1-5H3,(H,30,31)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321243
PNG
(US10179123, Example 2-46-2)
Show SMILES CC(C)Oc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C28H33F3N2O4/c1-16(2)36-24-13-23-22(12-21(24)26(34)35)32-25(33(23)19-10-17(3)14-27(4,5)15-19)11-18-6-8-20(9-7-18)37-28(29,30)31/h6-9,12-13,16-17,19H,10-11,14-15H2,1-5H3,(H,34,35)/t17-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321227
PNG
(US10179123, Example 2-36)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(C)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H30N2O2/c1-16-5-7-18(8-6-16)12-23-26-21-13-19(24(28)29)9-10-22(21)27(23)20-11-17(2)14-25(3,4)15-20/h5-10,13,17,20H,11-12,14-15H2,1-4H3,(H,28,29)/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321178
PNG
(US10179123, Example 2-3-2 | methyl 2-[4-(trifluoro...)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H29F3N2O3/c1-16-11-19(15-25(2,3)14-16)31-22-10-7-18(24(32)33-4)13-21(22)30-23(31)12-17-5-8-20(9-6-17)34-26(27,28)29/h5-10,13,16,19H,11-12,14-15H2,1-4H3/t16-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321246
PNG
(US10179123, Example 2-47-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(OCC(F)(F)F)cc12
Show InChI InChI=1S/C27H28F6N2O4/c1-15-8-17(13-25(2,3)12-15)35-21-11-22(38-14-26(28,29)30)19(24(36)37)10-20(21)34-23(35)9-16-4-6-18(7-5-16)39-27(31,32)33/h4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H,36,37)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321176
PNG
((+-) methyl 2-[4-(trifluoromethoxy)benzyl]-1-[(cis...)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H29F3N2O3/c1-16-11-19(15-25(2,3)14-16)31-22-10-7-18(24(32)33-4)13-21(22)30-23(31)12-17-5-8-20(9-6-17)34-26(27,28)29/h5-10,13,16,19H,11-12,14-15H2,1-4H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321207
PNG
(US10179123, Example 2-26)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Cc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C#N
Show InChI InChI=1S/C25H26F3N3/c1-16-10-20(14-24(2,3)13-16)31-22-9-6-18(15-29)11-21(22)30-23(31)12-17-4-7-19(8-5-17)25(26,27)28/h4-9,11,16,20H,10,12-14H2,1-3H3/t16-,20+/m1/s1
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n/an/a 700n/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321204
PNG
(US10179123, Example 2-23)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C#N
Show InChI InChI=1S/C25H26F3N3O/c1-16-10-19(14-24(2,3)13-16)31-22-9-6-18(15-29)11-21(22)30-23(31)12-17-4-7-20(8-5-17)32-25(26,27)28/h4-9,11,16,19H,10,12-14H2,1-3H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321203
PNG
(US10179123, Example 2-22)
Show SMILES COC(=O)c1ccc2n(C3CC(C)(C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2c1F
Show InChI InChI=1S/C27H30F4N2O3/c1-25(2)13-17(14-26(3,4)15-25)33-20-11-10-19(24(34)35-5)22(28)23(20)32-21(33)12-16-6-8-18(9-7-16)36-27(29,30)31/h6-11,17H,12-15H2,1-5H3
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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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321217
PNG
(US10179123, Example 2-30-2)
Show SMILES C[C@H](c1nc2cc(ccc2n1[C@@H]1C[C@H](C)CC(C)(C)C1)C(O)=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N2O3/c1-15-11-19(14-25(3,4)13-15)31-22-10-7-18(24(32)33)12-21(22)30-23(31)16(2)17-5-8-20(9-6-17)34-26(27,28)29/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,32,33)/t15-,16-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321195
PNG
(US10179123, Example 2-19-1)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C27H31F3N2O4/c1-16-10-18(15-26(2,3)14-16)32-22-13-23(34-4)20(25(33)35-5)12-21(22)31-24(32)11-17-6-8-19(9-7-17)36-27(28,29)30/h6-9,12-13,16,18H,10-11,14-15H2,1-5H3/t16-,18+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321170
PNG
((+-) methyl 2-[4-(trifluoromethoxy)phenyl]-1-[(cis...)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(nc2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N2O3/c1-15-11-18(14-24(2,3)13-15)30-21-10-7-17(23(31)32-4)12-20(21)29-22(30)16-5-8-19(9-6-16)33-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321244
PNG
(US10179123, Example 2-47 | US10179123, Example 2-4...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(OCC(F)(F)F)cc12
Show InChI InChI=1S/C27H28F6N2O4/c1-15-8-17(13-25(2,3)12-15)35-21-11-22(38-14-26(28,29)30)19(24(36)37)10-20(21)34-23(35)9-16-4-6-18(7-5-16)39-27(31,32)33/h4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H,36,37)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321193
PNG
(US10179123, Example 2-18-2)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C27H31F3N2O3/c1-16-10-19(15-26(3,4)14-16)32-23-11-17(2)21(25(33)34-5)13-22(23)31-24(32)12-18-6-8-20(9-7-18)35-27(28,29)30/h6-9,11,13,16,19H,10,12,14-15H2,1-5H3/t16-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321210
PNG
(US10179123, Example 2-28-1)
Show SMILES COC(=O)CCc1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC
Show InChI InChI=1S/C29H35F3N2O4/c1-18-12-21(17-28(2,3)16-18)34-24-15-25(36-4)20(8-11-27(35)37-5)14-23(24)33-26(34)13-19-6-9-22(10-7-19)38-29(30,31)32/h6-7,9-10,14-15,18,21H,8,11-13,16-17H2,1-5H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321226
PNG
(US10179123, Example 2-35)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C24H27FN2O2/c1-15-10-19(14-24(2,3)13-15)27-21-9-6-17(23(28)29)12-20(21)26-22(27)11-16-4-7-18(25)8-5-16/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,28,29)/t15-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321197
PNG
(US10179123, Example 2-20 | US10179123, Example 2-2...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC(C)C
Show InChI InChI=1S/C29H35F3N2O4/c1-17(2)37-25-14-24-23(13-22(25)27(35)36-6)33-26(34(24)20-11-18(3)15-28(4,5)16-20)12-19-7-9-21(10-8-19)38-29(30,31)32/h7-10,13-14,17-18,20H,11-12,15-16H2,1-6H3/t18-,20+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321184
PNG
(US10179123, Example 2-11)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(cc3)C(C)(C)C)nc2c1
Show InChI InChI=1S/C29H38N2O2/c1-19-14-23(18-29(5,6)17-19)31-25-13-10-21(27(32)33-7)16-24(25)30-26(31)15-20-8-11-22(12-9-20)28(2,3)4/h8-13,16,19,23H,14-15,17-18H2,1-7H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321181
PNG
(US10179123, Example 2-8)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C26H29F3N2O2/c1-16-11-20(15-25(2,3)14-16)31-22-10-7-18(24(32)33-4)13-21(22)30-23(31)12-17-5-8-19(9-6-17)26(27,28)29/h5-10,13,16,20H,11-12,14-15H2,1-4H3/t16-,20+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321179
PNG
(US10179123, Example 2-6)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C28H36N2O3/c1-18(2)33-23-10-7-20(8-11-23)14-26-29-24-15-21(27(31)32-6)9-12-25(24)30(26)22-13-19(3)16-28(4,5)17-22/h7-12,15,18-19,22H,13-14,16-17H2,1-6H3/t19-,22+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321183
PNG
(US10179123, Example 2-10)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(C)cc3)nc2c1
Show InChI InChI=1S/C26H32N2O2/c1-17-6-8-19(9-7-17)13-24-27-22-14-20(25(29)30-5)10-11-23(22)28(24)21-12-18(2)15-26(3,4)16-21/h6-11,14,18,21H,12-13,15-16H2,1-5H3/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321205
PNG
(US10179123, Example 2-24)
Show SMILES CC(C)Oc1ccc(Cc2nc3cc(ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)C#N)cc1
Show InChI InChI=1S/C27H33N3O/c1-18(2)31-23-9-6-20(7-10-23)14-26-29-24-13-21(17-28)8-11-25(24)30(26)22-12-19(3)15-27(4,5)16-22/h6-11,13,18-19,22H,12,14-16H2,1-5H3/t19-,22+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321176
PNG
((+-) methyl 2-[4-(trifluoromethoxy)benzyl]-1-[(cis...)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H29F3N2O3/c1-16-11-19(15-25(2,3)14-16)31-22-10-7-18(24(32)33-4)13-21(22)30-23(31)12-17-5-8-20(9-6-17)34-26(27,28)29/h5-10,13,16,19H,11-12,14-15H2,1-4H3/t16-,19+/m1/s1
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n/an/a 1.70E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321231
PNG
(US10179123, Example 2-40)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2cccc(OC(F)(F)F)c2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H27F3N2O3/c1-15-9-18(14-24(2,3)13-15)30-21-8-7-17(23(31)32)12-20(21)29-22(30)11-16-5-4-6-19(10-16)33-25(26,27)28/h4-8,10,12,15,18H,9,11,13-14H2,1-3H3,(H,31,32)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321218
PNG
(US10179123, Example 2-30-3)
Show SMILES C[C@@H](c1nc2cc(ccc2n1[C@H]1C[C@H](C)CC(C)(C)C1)C(O)=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N2O3/c1-15-11-19(14-25(3,4)13-15)31-22-10-7-18(24(32)33)12-21(22)30-23(31)16(2)17-5-8-20(9-6-17)34-26(27,28)29/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,32,33)/t15-,16+,19-/m0/s1
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n/an/a 2.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321244
PNG
(US10179123, Example 2-47 | US10179123, Example 2-4...)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(OCC(F)(F)F)cc12
Show InChI InChI=1S/C27H28F6N2O4/c1-15-8-17(13-25(2,3)12-15)35-21-11-22(38-14-26(28,29)30)19(24(36)37)10-20(21)34-23(35)9-16-4-6-18(7-5-16)39-27(31,32)33/h4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H,36,37)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321232
PNG
(US10179123, Example 2-41)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2sc(nc2C)-c2ccccc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C28H31N3O2S/c1-17-12-21(16-28(3,4)15-17)31-23-11-10-20(27(32)33)13-22(23)30-25(31)14-24-18(2)29-26(34-24)19-8-6-5-7-9-19/h5-11,13,17,21H,12,14-16H2,1-4H3,(H,32,33)/t17-,21+/m0/s1
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n/an/a 2.30E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321229
PNG
(US10179123, Example 2-38)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccccc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C24H28N2O2/c1-16-11-19(15-24(2,3)14-16)26-21-10-9-18(23(27)28)13-20(21)25-22(26)12-17-7-5-4-6-8-17/h4-10,13,16,19H,11-12,14-15H2,1-3H3,(H,27,28)/t16-,19+/m0/s1
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n/an/a 2.40E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321215
PNG
(US10179123, Example 2-30)
Show SMILES CC(c1nc2cc(ccc2n1[C@@H]1C[C@H](C)CC(C)(C)C1)C(O)=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N2O3/c1-15-11-19(14-25(3,4)13-15)31-22-10-7-18(24(32)33)12-21(22)30-23(31)16(2)17-5-8-20(9-6-17)34-26(27,28)29/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,32,33)/t15-,16?,19+/m0/s1
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n/an/a 2.70E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321197
PNG
(US10179123, Example 2-20 | US10179123, Example 2-2...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OC(C)C
Show InChI InChI=1S/C29H35F3N2O4/c1-17(2)37-25-14-24-23(13-22(25)27(35)36-6)33-26(34(24)20-11-18(3)15-28(4,5)16-20)12-19-7-9-21(10-8-19)38-29(30,31)32/h7-10,13-14,17-18,20H,11-12,15-16H2,1-6H3/t18-,20+/m1/s1
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n/an/a 2.80E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321199
PNG
(US10179123, Example 2-20-2)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1OC(C)C
Show InChI InChI=1S/C29H35F3N2O4/c1-17(2)37-25-14-24-23(13-22(25)27(35)36-6)33-26(34(24)20-11-18(3)15-28(4,5)16-20)12-19-7-9-21(10-8-19)38-29(30,31)32/h7-10,13-14,17-18,20H,11-12,15-16H2,1-6H3/t18-,20+/m0/s1
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n/an/a 3.30E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321185
PNG
(US10179123, Example 2-12)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N2O2/c1-17-12-20(16-25(2,3)15-17)27-22-11-10-19(24(28)29-4)14-21(22)26-23(27)13-18-8-6-5-7-9-18/h5-11,14,17,20H,12-13,15-16H2,1-4H3/t17-,20+/m1/s1
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n/an/a 3.50E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321220
PNG
(US10179123, Example 2-31)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(nc2cc(ccc12)C(O)=O)C(C)(C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H31F3N2O3/c1-16-12-19(15-25(2,3)14-16)32-22-11-6-17(23(33)34)13-21(22)31-24(32)26(4,5)18-7-9-20(10-8-18)35-27(28,29)30/h6-11,13,16,19H,12,14-15H2,1-5H3,(H,33,34)/t16-,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321182
PNG
(US10179123, Example 2-9)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccc(F)cc3)nc2c1
Show InChI InChI=1S/C25H29FN2O2/c1-16-11-20(15-25(2,3)14-16)28-22-10-7-18(24(29)30-4)13-21(22)27-23(28)12-17-5-8-19(26)9-6-17/h5-10,13,16,20H,11-12,14-15H2,1-4H3/t16-,20+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321200
PNG
(US10179123, Example 2-21 | US10179123, Example 2-2...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OCC(F)(F)F
Show InChI InChI=1S/C28H30F6N2O4/c1-16-9-18(14-26(2,3)13-16)36-22-12-23(39-15-27(29,30)31)20(25(37)38-4)11-21(22)35-24(36)10-17-5-7-19(8-6-17)40-28(32,33)34/h5-8,11-12,16,18H,9-10,13-15H2,1-4H3/t16-,18+/m1/s1
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n/an/a 5.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321216
PNG
(US10179123, Example 2-30-1)
Show SMILES C[C@@H](c1nc2cc(ccc2n1[C@@H]1C[C@H](C)CC(C)(C)C1)C(O)=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N2O3/c1-15-11-19(14-25(3,4)13-15)31-22-10-7-18(24(32)33)12-21(22)30-23(31)16(2)17-5-8-20(9-6-17)34-26(27,28)29/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,32,33)/t15-,16+,19+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321230
PNG
(US10179123, Example 2-39)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2ccccc2OC(F)(F)F)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H27F3N2O3/c1-15-10-18(14-24(2,3)13-15)30-20-9-8-17(23(31)32)11-19(20)29-22(30)12-16-6-4-5-7-21(16)33-25(26,27)28/h4-9,11,15,18H,10,12-14H2,1-3H3,(H,31,32)/t15-,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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321256
PNG
(US10179123, Reference compound 2-4-3)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@@H](C)CC(C)(C)C3)c(nc2c1)[C@H](C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H31F3N2O3/c1-16-12-20(15-26(3,4)14-16)32-23-11-8-19(25(33)34-5)13-22(23)31-24(32)17(2)18-6-9-21(10-7-18)35-27(28,29)30/h6-11,13,16-17,20H,12,14-15H2,1-5H3/t16-,17-,20-/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321172
PNG
(US10179123, Example 2-1-2 | methyl 2-[4-(trifluoro...)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(nc2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N2O3/c1-15-11-18(14-24(2,3)13-15)30-21-10-7-17(23(31)32-4)12-20(21)29-22(30)16-5-8-19(9-6-16)33-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3/t15-,18+/m1/s1
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n/an/a 5.70E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321189
PNG
(US10179123, Example 2-16)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3c(C)[nH]c4ccc(F)cc34)nc2c1
Show InChI InChI=1S/C28H32FN3O2/c1-16-10-20(15-28(3,4)14-16)32-25-9-6-18(27(33)34-5)11-24(25)31-26(32)13-21-17(2)30-23-8-7-19(29)12-22(21)23/h6-9,11-12,16,20,30H,10,13-15H2,1-5H3/t16-,20+/m1/s1
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n/an/a 5.80E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321234
PNG
(US10179123, Example 2-43)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2cn(C)c3ccccc23)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C27H31N3O2/c1-17-11-20(15-27(2,3)14-17)30-24-10-9-18(26(31)32)12-22(24)28-25(30)13-19-16-29(4)23-8-6-5-7-21(19)23/h5-10,12,16-17,20H,11,13-15H2,1-4H3,(H,31,32)/t17-,20+/m0/s1
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n/an/a 6.60E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321233
PNG
(US10179123, Example 2-42)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Cc2c(C)[nH]c3ccc(F)cc23)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C27H30FN3O2/c1-15-9-19(14-27(3,4)13-15)31-24-8-5-17(26(32)33)10-23(24)30-25(31)12-20-16(2)29-22-7-6-18(28)11-21(20)22/h5-8,10-11,15,19,29H,9,12-14H2,1-4H3,(H,32,33)/t15-,19+/m0/s1
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n/an/a 7.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321188
PNG
(US10179123, Example 2-15)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3sc(nc3C)-c3ccccc3)nc2c1
Show InChI InChI=1S/C29H33N3O2S/c1-18-13-22(17-29(3,4)16-18)32-24-12-11-21(28(33)34-5)14-23(24)31-26(32)15-25-19(2)30-27(35-25)20-9-7-6-8-10-20/h6-12,14,18,22H,13,15-17H2,1-5H3/t18-,22+/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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321190
PNG
(US10179123, Example 2-17)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3cn(C)c4ccccc34)nc2c1
Show InChI InChI=1S/C28H33N3O2/c1-18-12-21(16-28(2,3)15-18)31-25-11-10-19(27(32)33-5)13-23(25)29-26(31)14-20-17-30(4)24-9-7-6-8-22(20)24/h6-11,13,17-18,21H,12,14-16H2,1-5H3/t18-,21+/m1/s1
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n/an/a 9.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321170
PNG
((+-) methyl 2-[4-(trifluoromethoxy)phenyl]-1-[(cis...)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(nc2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N2O3/c1-15-11-18(14-24(2,3)13-15)30-21-10-7-17(23(31)32-4)12-20(21)29-22(30)16-5-8-19(9-6-16)33-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3/t15-,18+/m0/s1
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n/an/a 9.90E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321187
PNG
(US10179123, Example 2-14)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Cc3cccc(OC(F)(F)F)c3)nc2c1
Show InChI InChI=1S/C26H29F3N2O3/c1-16-10-19(15-25(2,3)14-16)31-22-9-8-18(24(32)33-4)13-21(22)30-23(31)12-17-6-5-7-20(11-17)34-26(27,28)29/h5-9,11,13,16,19H,10,12,14-15H2,1-4H3/t16-,19+/m0/s1
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n/an/a 1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321200
PNG
(US10179123, Example 2-21 | US10179123, Example 2-2...)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2cc1OCC(F)(F)F
Show InChI InChI=1S/C28H30F6N2O4/c1-16-9-18(14-26(2,3)13-16)36-22-12-23(39-15-27(29,30)31)20(25(37)38-4)11-21(22)35-24(36)10-17-5-7-19(8-6-17)40-28(32,33)34/h5-8,11-12,16,18H,9-10,13-15H2,1-4H3/t16-,18+/m1/s1
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n/an/a>1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321258
PNG
(US10179123, Reference compound 2-5)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(nc2c1)C(C)(C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H33F3N2O3/c1-17-13-20(16-26(2,3)15-17)33-23-12-7-18(24(34)35-6)14-22(23)32-25(33)27(4,5)19-8-10-21(11-9-19)36-28(29,30)31/h7-12,14,17,20H,13,15-16H2,1-6H3/t17-,20+/m1/s1
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n/an/a>1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321255
PNG
(US10179123, Reference compound 2-4-2)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(nc2c1)[C@@H](C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H31F3N2O3/c1-16-12-20(15-26(3,4)14-16)32-23-11-8-19(25(33)34-5)13-22(23)31-24(32)17(2)18-6-9-21(10-7-18)35-27(28,29)30/h6-11,13,16-17,20H,12,14-15H2,1-5H3/t16-,17+,20+/m1/s1
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n/an/a>1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321186
PNG
(US10179123, Example 2-13)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Cc3ccccc3OC(F)(F)F)nc2c1
Show InChI InChI=1S/C26H29F3N2O3/c1-16-11-19(15-25(2,3)14-16)31-21-10-9-18(24(32)33-4)12-20(21)30-23(31)13-17-7-5-6-8-22(17)34-26(27,28)29/h5-10,12,16,19H,11,13-15H2,1-4H3/t16-,19+/m1/s1
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n/an/a 1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321253
PNG
(US10179123, Reference compound 2-4)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(nc2c1)C(C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H31F3N2O3/c1-16-12-20(15-26(3,4)14-16)32-23-11-8-19(25(33)34-5)13-22(23)31-24(32)17(2)18-6-9-21(10-7-18)35-27(28,29)30/h6-11,13,16-17,20H,12,14-15H2,1-5H3/t16-,17?,20+/m1/s1
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n/an/a>1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321219
PNG
(US10179123, Example 2-30-4)
Show SMILES C[C@H](c1nc2cc(ccc2n1[C@H]1C[C@H](C)CC(C)(C)C1)C(O)=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N2O3/c1-15-11-19(14-25(3,4)13-15)31-22-10-7-18(24(32)33)12-21(22)30-23(31)16(2)17-5-8-20(9-6-17)34-26(27,28)29/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,32,33)/t15-,16-,19-/m0/s1
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n/an/a>1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321257
PNG
(US10179123, Reference compound 2-4-4)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@@H](C)CC(C)(C)C3)c(nc2c1)[C@@H](C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H31F3N2O3/c1-16-12-20(15-26(3,4)14-16)32-23-11-8-19(25(33)34-5)13-22(23)31-24(32)17(2)18-6-9-21(10-7-18)35-27(28,29)30/h6-11,13,16-17,20H,12,14-15H2,1-5H3/t16-,17+,20-/m1/s1
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n/an/a>1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321254
PNG
(US10179123, Reference compound 2-4-1)
Show SMILES COC(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(nc2c1)[C@H](C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H31F3N2O3/c1-16-12-20(15-26(3,4)14-16)32-23-11-8-19(25(33)34-5)13-22(23)31-24(32)17(2)18-6-9-21(10-7-18)35-27(28,29)30/h6-11,13,16-17,20H,12,14-15H2,1-5H3/t16-,17-,20+/m1/s1
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n/an/a>1.00E+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 US10179123 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM321202
PNG
(US10179123, Example 2-21-2)
Show SMILES COC(=O)c1cc2nc(Cc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1OCC(F)(F)F
Show InChI InChI=1S/C28H30F6N2O4/c1-16-9-18(14-26(2,3)13-16)36-22-12-23(39-15-27(29,30)31)20(25(37)38-4)11-21(22)35-24(36)10-17-5-7-19(8-6-17)40-28(32,33)34/h5-8,11-12,16,18H,9-10,13-15H2,1-4H3/t16-,18+/m0/s1
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n/an/a 1.20E+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 US10179123 (2019)

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