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Patent code US10137110

Compile Data Set for Download or QSAR
Found 81 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))
BDBM303127
PNG
(5-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[...)
Show SMILES Cc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C1OC(=O)NC1=O
Show InChI InChI=1S/C28H31F3N4O4/c1-15-10-21-20(11-19(15)22-23(36)34-25(37)38-22)33-24(32-16-6-8-18(9-7-16)39-28(29,30)31)35(21)17-12-26(2,3)14-27(4,5)13-17/h6-11,17,22H,12-14H2,1-5H3,(H,32,33)(H,34,36,37)
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303127
PNG
(5-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[...)
Show SMILES Cc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C1OC(=O)NC1=O
Show InChI InChI=1S/C28H31F3N4O4/c1-15-10-21-20(11-19(15)22-23(36)34-25(37)38-22)33-24(32-16-6-8-18(9-7-16)39-28(29,30)31)35(21)17-12-26(2,3)14-27(4,5)13-17/h6-11,17,22H,12-14H2,1-5H3,(H,32,33)(H,34,36,37)
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Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303128
PNG
(5-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[...)
Show SMILES Cc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1-c1cc(O)no1
Show InChI InChI=1S/C28H31F3N4O3/c1-16-10-22-21(11-20(16)23-12-24(36)34-38-23)33-25(32-17-6-8-19(9-7-17)37-28(29,30)31)35(22)18-13-26(2,3)15-27(4,5)14-18/h6-12,18H,13-15H2,1-5H3,(H,32,33)(H,34,36)
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303078
PNG
(US10137110, Example 2-2)
Show SMILES C[C@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H30F3N3O3/c1-18-13-23(17-29(2,3)16-18)36-26-12-7-20(19-5-4-6-21(14-19)27(37)38)15-25(26)35-28(36)34-22-8-10-24(11-9-22)39-30(31,32)33/h4-12,14-15,18,23H,13,16-17H2,1-3H3,(H,34,35)(H,37,38)/t18-,23-/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303119
PNG
(1-(3,3,5,5-tetramethylcyclohexyl)-5-(1H-tetrazol-5...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1nnn[nH]1
Show InChI InChI=1S/C25H28F3N7O/c1-23(2)12-17(13-24(3,4)14-23)35-20-10-5-15(21-31-33-34-32-21)11-19(20)30-22(35)29-16-6-8-18(9-7-16)36-25(26,27)28/h5-11,17H,12-14H2,1-4H3,(H,29,30)(H,31,32,33,34)
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303077
PNG
(US10137110, Example 2-1-2)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O2/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-37-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)36-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303080
PNG
(US10137110, Example 2-4)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C26H28F3N5O/c1-16-10-20(13-25(2,3)12-16)34-23-9-4-17(18-14-30-31-15-18)11-22(23)33-24(34)32-19-5-7-21(8-6-19)35-26(27,28)29/h4-9,11,14-16,20H,10,12-13H2,1-3H3,(H,30,31)(H,32,33)/t16-,20+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303081
PNG
(BDBM303082 | US10137110, Example 2-5)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5O/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303091
PNG
(BDBM303092 | US10137110, Example 2-12)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cc(C)nn1C
Show InChI InChI=1S/C28H32F3N5O/c1-17-12-21(16-27(3,4)15-17)36-24-11-6-19(25-13-18(2)34-35(25)5)14-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13-14,17,21H,12,15-16H2,1-5H3,(H,32,33)/t17-,21+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303084
PNG
(US10137110, Example 2-7)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c[nH]nc1C
Show InChI InChI=1S/C27H30F3N5O/c1-16-11-20(14-26(3,4)13-16)35-24-10-5-18(22-15-31-34-17(22)2)12-23(24)33-25(35)32-19-6-8-21(9-7-19)36-27(28,29)30/h5-10,12,15-16,20H,11,13-14H2,1-4H3,(H,31,34)(H,32,33)/t16-,20+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303075
PNG
((+/1)5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(triflu...)
Show SMILES C[C@@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O2/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-37-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)36-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21-/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303121
PNG
(6-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)-1-(3,3...)
Show SMILES Cc1nnc([nH]1)-c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C28H33F3N6O/c1-16-11-23-22(12-21(16)24-32-17(2)35-36-24)34-25(33-18-7-9-20(10-8-18)38-28(29,30)31)37(23)19-13-26(3,4)15-27(5,6)14-19/h7-12,19H,13-15H2,1-6H3,(H,33,34)(H,32,35,36)
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303116
PNG
(5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-(3,3,5,5-tetra...)
Show SMILES Cc1nnc(o1)-c1ccc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C27H30F3N5O2/c1-16-33-34-23(36-16)17-6-11-22-21(12-17)32-24(31-18-7-9-20(10-8-18)37-27(28,29)30)35(22)19-13-25(2,3)15-26(4,5)14-19/h6-12,19H,13-15H2,1-5H3,(H,31,32)
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303085
PNG
(US10137110, Example 2-8)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1ccn[nH]1
Show InChI InChI=1S/C26H28F3N5O/c1-16-12-19(15-25(2,3)14-16)34-23-9-4-17(21-10-11-30-33-21)13-22(23)32-24(34)31-18-5-7-20(8-6-18)35-26(27,28)29/h4-11,13,16,19H,12,14-15H2,1-3H3,(H,30,33)(H,31,32)/t16-,19+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303089
PNG
(US10137110, Example 2-10-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5S/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303087
PNG
(BDBM303088 | US10137110, Example 2-10)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5S/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303115
PNG
(US10137110, Example 2-24-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5/c1-16-12-22(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,22+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303086
PNG
(US10137110, Example 2-9)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cnoc1
Show InChI InChI=1S/C26H27F3N4O2/c1-16-10-20(13-25(2,3)12-16)33-23-9-4-17(18-14-30-34-15-18)11-22(23)32-24(33)31-19-5-7-21(8-6-19)35-26(27,28)29/h4-9,11,14-16,20H,10,12-13H2,1-3H3,(H,31,32)/t16-,20+/m0/s1
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Bayer Pharma Aktiengesellschaft

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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303112
PNG
(US10137110, Example 2-23-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O/c1-16-12-22(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)/t16-,22+/m1/s1
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Bayer Pharma Aktiengesellschaft

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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303125
PNG
(US10137110, Example 2-34)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C31H34F3N3O2/c1-18-12-24(17-30(4,5)16-18)37-27-11-6-21(22-13-19(2)28(38)20(3)14-22)15-26(27)36-29(37)35-23-7-9-25(10-8-23)39-31(32,33)34/h6-11,13-15,18,24,38H,12,16-17H2,1-5H3,(H,35,36)/t18-,24+/m1/s1
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303119
PNG
(1-(3,3,5,5-tetramethylcyclohexyl)-5-(1H-tetrazol-5...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1nnn[nH]1
Show InChI InChI=1S/C25H28F3N7O/c1-23(2)12-17(13-24(3,4)14-23)35-20-10-5-15(21-31-33-34-32-21)11-19(20)30-22(35)29-16-6-8-18(9-7-16)36-25(26,27)28/h5-11,17H,12-14H2,1-4H3,(H,29,30)(H,31,32,33,34)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303090
PNG
(US10137110, Example 2-11)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C30H31F3N4O2/c1-18-13-23(17-29(2,3)16-18)37-26-12-7-20(19-5-4-6-21(14-19)27(34)38)15-25(26)36-28(37)35-22-8-10-24(11-9-22)39-30(31,32)33/h4-12,14-15,18,23H,13,16-17H2,1-3H3,(H2,34,38)(H,35,36)/t18-,23+/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303117
PNG
(5-(5-Methyl-1,2,4-oxadiazol-3-yl)-1-(3,3,5,5-tetra...)
Show SMILES Cc1nc(no1)-c1ccc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C27H30F3N5O2/c1-16-31-23(34-37-16)17-6-11-22-21(12-17)33-24(32-18-7-9-20(10-8-18)36-27(28,29)30)35(22)19-13-25(2,3)15-26(4,5)14-19/h6-12,19H,13-15H2,1-5H3,(H,32,33)
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303094
PNG
(BDBM303095 | US10137110, Example 2-13)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H30F3N5O/c1-17-11-21(14-26(2,3)13-17)35-24-10-5-18(19-15-31-34(4)16-19)12-23(24)33-25(35)32-20-6-8-22(9-7-20)36-27(28,29)30/h5-10,12,15-17,21H,11,13-14H2,1-4H3,(H,32,33)/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303126
PNG
((+/-) 5-(3-ethoxy-5-methyl-1,2-oxazol-4-yl)-N-[4-(...)
Show SMILES CCOc1noc(C)c1-c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C29H33F3N4O3/c1-6-37-26-25(18(3)39-35-26)19-7-12-24-23(14-19)34-27(36(24)21-13-17(2)15-28(4,5)16-21)33-20-8-10-22(11-9-20)38-29(30,31)32/h7-12,14,17,21H,6,13,15-16H2,1-5H3,(H,33,34)/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303076
PNG
(US10137110, Example 2-1-1)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O2/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-37-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)36-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21+/m1/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303128
PNG
(5-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[...)
Show SMILES Cc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1-c1cc(O)no1
Show InChI InChI=1S/C28H31F3N4O3/c1-16-10-22-21(11-20(16)23-12-24(36)34-38-23)33-25(32-17-6-8-19(9-7-17)37-28(29,30)31)35(22)18-13-26(2,3)15-27(4,5)14-18/h6-12,18H,13-15H2,1-5H3,(H,32,33)(H,34,36)
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Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303099
PNG
(BDBM303100 | US10137110, Example 2-16)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cn(C)nc1C(F)(F)F
Show InChI InChI=1S/C28H29F6N5O/c1-16-11-19(14-26(2,3)13-16)39-23-10-5-17(21-15-38(4)37-24(21)27(29,30)31)12-22(23)36-25(39)35-18-6-8-20(9-7-18)40-28(32,33)34/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,35,36)/t16-,19+/m0/s1
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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303108
PNG
(US10137110, Example 2-21-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4OS/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21+/m1/s1
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Bayer Pharma Aktiengesellschaft

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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303087
PNG
(BDBM303088 | US10137110, Example 2-10)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5S/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m0/s1
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Bayer Pharma Aktiengesellschaft

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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303078
PNG
(US10137110, Example 2-2)
Show SMILES C[C@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H30F3N3O3/c1-18-13-23(17-29(2,3)16-18)36-26-12-7-20(19-5-4-6-21(14-19)27(37)38)15-25(26)35-28(36)34-22-8-10-24(11-9-22)39-30(31,32)33/h4-12,14-15,18,23H,13,16-17H2,1-3H3,(H,34,35)(H,37,38)/t18-,23-/m0/s1
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Bayer Pharma Aktiengesellschaft

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Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303122
PNG
((+/-) 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trif...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1nnc(C)o1
Show InChI InChI=1S/C26H28F3N5O2/c1-15-11-19(14-25(3,4)13-15)34-22-10-5-17(23-33-32-16(2)35-23)12-21(22)31-24(34)30-18-6-8-20(9-7-18)36-26(27,28)29/h5-10,12,15,19H,11,13-14H2,1-4H3,(H,30,31)/t15-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303102
PNG
(US10137110, Example 2-17)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C30H31F3N4O2/c1-18-14-23(17-29(2,3)16-18)37-26-13-8-21(19-4-6-20(7-5-19)27(34)38)15-25(26)36-28(37)35-22-9-11-24(12-10-22)39-30(31,32)33/h4-13,15,18,23H,14,16-17H2,1-3H3,(H2,34,38)(H,35,36)/t18-,23+/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303079
PNG
(US10137110, Example 2-3)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H30F3N3O3/c1-18-14-23(17-29(2,3)16-18)36-26-13-8-21(19-4-6-20(7-5-19)27(37)38)15-25(26)35-28(36)34-22-9-11-24(12-10-22)39-30(31,32)33/h4-13,15,18,23H,14,16-17H2,1-3H3,(H,34,35)(H,37,38)/t18-,23+/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303080
PNG
(US10137110, Example 2-4)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C26H28F3N5O/c1-16-10-20(13-25(2,3)12-16)34-23-9-4-17(18-14-30-31-15-18)11-22(23)33-24(34)32-19-5-7-21(8-6-19)35-26(27,28)29/h4-9,11,14-16,20H,10,12-13H2,1-3H3,(H,30,31)(H,32,33)/t16-,20+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303081
PNG
(BDBM303082 | US10137110, Example 2-5)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5O/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303124
PNG
((+/-) 2,6-difluoro-4-(2-{[4-(trifluoromethoxy)phen...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C29H28F5N3O2/c1-16-10-20(15-28(2,3)14-16)37-25-9-4-17(18-11-22(30)26(38)23(31)12-18)13-24(25)36-27(37)35-19-5-7-21(8-6-19)39-29(32,33)34/h4-9,11-13,16,20,38H,10,14-15H2,1-3H3,(H,35,36)/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303109
PNG
(US10137110, Example 2-22)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1ccn[nH]1
Show InChI InChI=1S/C26H28F3N5S/c1-16-12-19(15-25(2,3)14-16)34-23-9-4-17(21-10-11-30-33-21)13-22(23)32-24(34)31-18-5-7-20(8-6-18)35-26(27,28)29/h4-11,13,16,19H,12,14-15H2,1-3H3,(H,30,33)(H,31,32)/t16-,19+/m0/s1
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Bayer Pharma Aktiengesellschaft

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Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303101
PNG
(US10137110, Example 2-16-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cn(C)nc1C(F)(F)F
Show InChI InChI=1S/C28H29F6N5O/c1-16-11-19(14-26(2,3)13-16)39-23-10-5-17(21-15-38(4)37-24(21)27(29,30)31)12-22(23)36-25(39)35-18-6-8-20(9-7-18)40-28(32,33)34/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,35,36)/t16-,19+/m1/s1
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303075
PNG
((+/1)5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(triflu...)
Show SMILES C[C@@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O2/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-37-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)36-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303096
PNG
(US10137110, Example 2-13-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H30F3N5O/c1-17-11-21(14-26(2,3)13-17)35-24-10-5-18(19-15-31-34(4)16-19)12-23(24)33-25(35)32-20-6-8-22(9-7-20)36-27(28,29)30/h5-10,12,15-17,21H,11,13-14H2,1-4H3,(H,32,33)/t17-,21+/m1/s1
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303094
PNG
(BDBM303095 | US10137110, Example 2-13)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H30F3N5O/c1-17-11-21(14-26(2,3)13-17)35-24-10-5-18(19-15-31-34(4)16-19)12-23(24)33-25(35)32-20-6-8-22(9-7-20)36-27(28,29)30/h5-10,12,15-17,21H,11,13-14H2,1-4H3,(H,32,33)/t17-,21+/m0/s1
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303106
PNG
(BDBM303107 | US10137110, Example 2-21)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4OS/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303084
PNG
(US10137110, Example 2-7)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c[nH]nc1C
Show InChI InChI=1S/C27H30F3N5O/c1-16-11-20(14-26(3,4)13-16)35-24-10-5-18(22-15-31-34-17(22)2)12-23(24)33-25(35)32-19-6-8-21(9-7-19)36-27(28,29)30/h5-10,12,15-16,20H,11,13-14H2,1-4H3,(H,31,34)(H,32,33)/t16-,20+/m0/s1
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US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303097
PNG
(US10137110, Example 2-14)
Show SMILES COc1cc(ccn1)-c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C29H31F3N4O2/c1-18-13-22(17-28(2,3)16-18)36-25-10-5-19(20-11-12-33-26(15-20)37-4)14-24(25)35-27(36)34-21-6-8-23(9-7-21)38-29(30,31)32/h5-12,14-15,18,22H,13,16-17H2,1-4H3,(H,34,35)/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303098
PNG
(US10137110, Example 2-15)
Show SMILES COC(=O)c1cccc(c1)-c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C31H32F3N3O3/c1-19-14-24(18-30(2,3)17-19)37-27-13-8-21(20-6-5-7-22(15-20)28(38)39-4)16-26(27)36-29(37)35-23-9-11-25(12-10-23)40-31(32,33)34/h5-13,15-16,19,24H,14,17-18H2,1-4H3,(H,35,36)/t19-,24+/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303083
PNG
(US10137110, Example 2-5-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5O/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303121
PNG
(6-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)-1-(3,3...)
Show SMILES Cc1nnc([nH]1)-c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C28H33F3N6O/c1-16-11-23-22(12-21(16)24-32-17(2)35-36-24)34-25(33-18-7-9-20(10-8-18)38-28(29,30)31)37(23)19-13-26(3,4)15-27(5,6)14-19/h7-12,19H,13-15H2,1-6H3,(H,33,34)(H,32,35,36)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303083
PNG
(US10137110, Example 2-5-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5O/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303093
PNG
(US10137110, Example 2-12-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cc(C)nn1C
Show InChI InChI=1S/C28H32F3N5O/c1-17-12-21(16-27(3,4)15-17)36-24-11-6-19(25-13-18(2)34-35(25)5)14-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13-14,17,21H,12,15-16H2,1-5H3,(H,32,33)/t17-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303118
PNG
((+/-) 5-(1H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)...)
Show SMILES C[C@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1nnn[nH]1
Show InChI InChI=1S/C24H26F3N7O/c1-14-10-17(13-23(2,3)12-14)34-20-9-4-15(21-30-32-33-31-21)11-19(20)29-22(34)28-16-5-7-18(8-6-16)35-24(25,26)27/h4-9,11,14,17H,10,12-13H2,1-3H3,(H,28,29)(H,30,31,32,33)/t14-,17-/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303104
PNG
(US10137110, Example 2-19)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C29H34F3N5O/c1-17-13-22(16-28(4,5)15-17)37-25-12-7-20(26-18(2)35-36(6)19(26)3)14-24(25)34-27(37)33-21-8-10-23(11-9-21)38-29(30,31)32/h7-12,14,17,22H,13,15-16H2,1-6H3,(H,33,34)/t17-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303085
PNG
(US10137110, Example 2-8)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1ccn[nH]1
Show InChI InChI=1S/C26H28F3N5O/c1-16-12-19(15-25(2,3)14-16)34-23-9-4-17(21-10-11-30-33-21)13-22(23)32-24(34)31-18-5-7-20(8-6-18)35-26(27,28)29/h4-11,13,16,19H,12,14-15H2,1-3H3,(H,30,33)(H,31,32)/t16-,19+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303086
PNG
(US10137110, Example 2-9)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cnoc1
Show InChI InChI=1S/C26H27F3N4O2/c1-16-10-20(13-25(2,3)12-16)33-23-9-4-17(18-14-30-34-15-18)11-22(23)32-24(33)31-19-5-7-21(8-6-19)35-26(27,28)29/h4-9,11,14-16,20H,10,12-13H2,1-3H3,(H,31,32)/t16-,20+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303087
PNG
(BDBM303088 | US10137110, Example 2-10)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5S/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303109
PNG
(US10137110, Example 2-22)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1ccn[nH]1
Show InChI InChI=1S/C26H28F3N5S/c1-16-12-19(15-25(2,3)14-16)34-23-9-4-17(21-10-11-30-33-21)13-22(23)32-24(34)31-18-5-7-20(8-6-18)35-26(27,28)29/h4-11,13,16,19H,12,14-15H2,1-3H3,(H,30,33)(H,31,32)/t16-,19+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303108
PNG
(US10137110, Example 2-21-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4OS/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21+/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303120
PNG
(5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-methyl-1-(3,3,5...)
Show SMILES Cc1n[nH]c(C)c1-c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C30H36F3N5O/c1-17-12-25-24(13-23(17)26-18(2)36-37-19(26)3)35-27(34-20-8-10-22(11-9-20)39-30(31,32)33)38(25)21-14-28(4,5)16-29(6,7)15-21/h8-13,21H,14-16H2,1-7H3,(H,34,35)(H,36,37)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303090
PNG
(US10137110, Example 2-11)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C30H31F3N4O2/c1-18-13-23(17-29(2,3)16-18)37-26-12-7-20(19-5-4-6-21(14-19)27(34)38)15-25(26)36-28(37)35-22-8-10-24(11-9-22)39-30(31,32)33/h4-12,14-15,18,23H,13,16-17H2,1-3H3,(H2,34,38)(H,35,36)/t18-,23+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303089
PNG
(US10137110, Example 2-10-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5S/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303081
PNG
(BDBM303082 | US10137110, Example 2-5)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5O/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303103
PNG
(US10137110, Example 2-18)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C31H32F3N3O3/c1-19-15-24(18-30(2,3)17-19)37-27-14-9-22(20-5-7-21(8-6-20)28(38)39-4)16-26(27)36-29(37)35-23-10-12-25(13-11-23)40-31(32,33)34/h5-14,16,19,24H,15,17-18H2,1-4H3,(H,35,36)/t19-,24+/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303105
PNG
(US10137110, Example 2-20)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1ccnn1C
Show InChI InChI=1S/C27H30F3N5O/c1-17-13-20(16-26(2,3)15-17)35-24-10-5-18(23-11-12-31-34(23)4)14-22(24)33-25(35)32-19-6-8-21(9-7-19)36-27(28,29)30/h5-12,14,17,20H,13,15-16H2,1-4H3,(H,32,33)/t17-,20+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303120
PNG
(5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-methyl-1-(3,3,5...)
Show SMILES Cc1n[nH]c(C)c1-c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2cc1C
Show InChI InChI=1S/C30H36F3N5O/c1-17-12-25-24(13-23(17)26-18(2)36-37-19(26)3)35-27(34-20-8-10-22(11-9-20)39-30(31,32)33)38(25)21-14-28(4,5)16-29(6,7)15-21/h8-13,21H,14-16H2,1-7H3,(H,34,35)(H,36,37)
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303091
PNG
(BDBM303092 | US10137110, Example 2-12)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cc(C)nn1C
Show InChI InChI=1S/C28H32F3N5O/c1-17-12-21(16-27(3,4)15-17)36-24-11-6-19(25-13-18(2)34-35(25)5)14-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13-14,17,21H,12,15-16H2,1-5H3,(H,32,33)/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303094
PNG
(BDBM303095 | US10137110, Example 2-13)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H30F3N5O/c1-17-11-21(14-26(2,3)13-17)35-24-10-5-18(19-15-31-34(4)16-19)12-23(24)33-25(35)32-20-6-8-22(9-7-20)36-27(28,29)30/h5-10,12,15-17,21H,11,13-14H2,1-4H3,(H,32,33)/t17-,21+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303115
PNG
(US10137110, Example 2-24-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5/c1-16-12-22(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,22+/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303099
PNG
(BDBM303100 | US10137110, Example 2-16)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cn(C)nc1C(F)(F)F
Show InChI InChI=1S/C28H29F6N5O/c1-16-11-19(14-26(2,3)13-16)39-23-10-5-17(21-15-38(4)37-24(21)27(29,30)31)12-22(23)36-25(39)35-18-6-8-20(9-7-18)40-28(32,33)34/h5-10,12,15-16,19H,11,13-14H2,1-4H3,(H,35,36)/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303091
PNG
(BDBM303092 | US10137110, Example 2-12)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cc(C)nn1C
Show InChI InChI=1S/C28H32F3N5O/c1-17-12-21(16-27(3,4)15-17)36-24-11-6-19(25-13-18(2)34-35(25)5)14-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13-14,17,21H,12,15-16H2,1-5H3,(H,32,33)/t17-,21+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303113
PNG
(BDBM303114 | US10137110, Example 2-24)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5/c1-16-12-22(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303110
PNG
(BDBM303111 | US10137110, Example 2-23)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O/c1-16-12-22(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)/t16-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303112
PNG
(US10137110, Example 2-23-2)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O/c1-16-12-22(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)/t16-,22+/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303105
PNG
(US10137110, Example 2-20)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1ccnn1C
Show InChI InChI=1S/C27H30F3N5O/c1-17-13-20(16-26(2,3)15-17)35-24-10-5-18(23-11-12-31-34(23)4)14-22(24)33-25(35)32-19-6-8-21(9-7-19)36-27(28,29)30/h5-12,14,17,20H,13,15-16H2,1-4H3,(H,32,33)/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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303123
PNG
((+/-) 5-(3,5-difluoro-4-methoxyphenyl)-N-[4-(trifl...)
Show SMILES COc1c(F)cc(cc1F)-c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C30H30F5N3O2/c1-17-11-21(16-29(2,3)15-17)38-26-10-5-18(19-12-23(31)27(39-4)24(32)13-19)14-25(26)37-28(38)36-20-6-8-22(9-7-20)40-30(33,34)35/h5-10,12-14,17,21H,11,15-16H2,1-4H3,(H,36,37)/t17-,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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303117
PNG
(5-(5-Methyl-1,2,4-oxadiazol-3-yl)-1-(3,3,5,5-tetra...)
Show SMILES Cc1nc(no1)-c1ccc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C27H30F3N5O2/c1-16-31-23(34-37-16)17-6-11-22-21(12-17)33-24(32-18-7-9-20(10-8-18)36-27(28,29)30)35(22)19-13-25(2,3)15-26(4,5)14-19/h6-12,19H,13-15H2,1-5H3,(H,32,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303104
PNG
(US10137110, Example 2-19)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C29H34F3N5O/c1-17-13-22(16-28(4,5)15-17)37-25-12-7-20(26-18(2)35-36(6)19(26)3)14-24(25)34-27(37)33-21-8-10-23(11-9-21)38-29(30,31)32/h7-12,14,17,22H,13,15-16H2,1-6H3,(H,33,34)/t17-,22+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303087
PNG
(BDBM303088 | US10137110, Example 2-10)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5S/c1-16-12-21(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,21+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303110
PNG
(BDBM303111 | US10137110, Example 2-23)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4O/c1-16-12-22(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)/t16-,22+/m0/s1
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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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303106
PNG
(BDBM303107 | US10137110, Example 2-21)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4OS/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21+/m0/s1
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AffyNet 
PC cid
PC sid
UniChem
US Patent
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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303113
PNG
(BDBM303114 | US10137110, Example 2-24)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C28H32F3N5/c1-16-12-22(15-27(4,5)14-16)36-24-11-6-19(25-17(2)34-35-18(25)3)13-23(24)33-26(36)32-21-9-7-20(8-10-21)28(29,30)31/h6-11,13,16,22H,12,14-15H2,1-5H3,(H,32,33)(H,34,35)/t16-,22+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 US10137110 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM303106
PNG
(BDBM303107 | US10137110, Example 2-21)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(SC(F)(F)F)cc2)nc2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C28H31F3N4OS/c1-16-12-21(15-27(4,5)14-16)35-24-11-6-19(25-17(2)34-36-18(25)3)13-23(24)33-26(35)32-20-7-9-22(10-8-20)37-28(29,30)31/h6-11,13,16,21H,12,14-15H2,1-5H3,(H,32,33)/t16-,21+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein...


US Patent US10137110 (2018)

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