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Patent code US10370339

Compile Data Set for Download or QSAR
Found 48 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))
BDBM410015
PNG
(1-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-2-{[...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H28F3N3O3/c1-14(2)19-10-4-15(3)12-22(19)31-21-11-5-16(23(32)33)13-20(21)30-24(31)29-17-6-8-18(9-7-17)34-25(26,27)28/h5-9,11,13-15,19,22H,4,10,12H2,1-3H3,(H,29,30)(H,32,33)/t15-,19+,22-/m1/s1
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US Patent
n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410027
PNG
(US10370339, Example 2-34)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CC(O)=O)c(C)cc12
Show InChI InChI=1S/C27H32F3N3O3/c1-15(2)21-10-5-16(3)11-23(21)33-24-12-17(4)18(14-25(34)35)13-22(24)32-26(33)31-19-6-8-20(9-7-19)36-27(28,29)30/h6-9,12-13,15-16,21,23H,5,10-11,14H2,1-4H3,(H,31,32)(H,34,35)/t16-,21+,23-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410016
PNG
(US10370339, Example 2-23)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(cc2)C(C)C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C27H35N3O2/c1-16(2)19-7-10-21(11-8-19)28-27-29-23-15-20(26(31)32)9-13-24(23)30(27)25-14-18(5)6-12-22(25)17(3)4/h7-11,13,15-18,22,25H,6,12,14H2,1-5H3,(H,28,29)(H,31,32)/t18-,22+,25-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410019
PNG
(US10370339, Example 2-26)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(cc2)C(C)C)nc2cc(C(O)=O)c(C)cc12
Show InChI InChI=1S/C28H37N3O2/c1-16(2)20-8-10-21(11-9-20)29-28-30-24-15-23(27(32)33)19(6)14-26(24)31(28)25-13-18(5)7-12-22(25)17(3)4/h8-11,14-18,22,25H,7,12-13H2,1-6H3,(H,29,30)(H,32,33)/t18-,22+,25-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410018
PNG
(US10370339, Example 2-25)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(C(O)=O)c(C)cc12
Show InChI InChI=1S/C26H30F3N3O3/c1-14(2)19-10-5-15(3)11-22(19)32-23-12-16(4)20(24(33)34)13-21(23)31-25(32)30-17-6-8-18(9-7-17)35-26(27,28)29/h6-9,12-15,19,22H,5,10-11H2,1-4H3,(H,30,31)(H,33,34)/t15-,19+,22-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410028
PNG
(US10370339, Example 2-35)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(cc2)C(C)C)nc2cc(CC(O)=O)c(C)cc12
Show InChI InChI=1S/C29H39N3O2/c1-17(2)21-8-10-23(11-9-21)30-29-31-25-15-22(16-28(33)34)20(6)14-27(25)32(29)26-13-19(5)7-12-24(26)18(3)4/h8-11,14-15,17-19,24,26H,7,12-13,16H2,1-6H3,(H,30,31)(H,33,34)/t19-,24+,26-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410041
PNG
(US10370339, Example 2-48)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(cc3)C(C)C)nc2cc1CCC(O)=O
Show InChI InChI=1S/C30H41N3O3/c1-18(2)21-8-11-23(12-9-21)31-30-32-25-16-22(10-14-29(34)35)28(36-6)17-27(25)33(30)26-15-20(5)7-13-24(26)19(3)4/h8-9,11-12,16-20,24,26H,7,10,13-15H2,1-6H3,(H,31,32)(H,34,35)/t20-,24+,26-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410025
PNG
(US10370339, Example 2-32)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(cc2)C(C)C)nc2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C28H37N3O2/c1-17(2)21-8-10-22(11-9-21)29-28-30-24-15-20(16-27(32)33)7-13-25(24)31(28)26-14-19(5)6-12-23(26)18(3)4/h7-11,13,15,17-19,23,26H,6,12,14,16H2,1-5H3,(H,29,30)(H,32,33)/t19-,23+,26-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410031
PNG
(US10370339, Example 2-38)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(cc3)C(C)C)nc2cc1CC(O)=O
Show InChI InChI=1S/C29H39N3O3/c1-17(2)20-8-10-22(11-9-20)30-29-31-24-14-21(15-28(33)34)27(35-6)16-26(24)32(29)25-13-19(5)7-12-23(25)18(3)4/h8-11,14,16-19,23,25H,7,12-13,15H2,1-6H3,(H,30,31)(H,33,34)/t19-,23+,25-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410035
PNG
(US10370339, Example 2-42)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(CCC(O)=O)ccc3n2[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
Show InChI InChI=1S/C29H39N3O3/c1-18(2)24-13-6-20(5)16-27(24)32-26-14-7-21(8-15-28(33)34)17-25(26)31-29(32)30-22-9-11-23(12-10-22)35-19(3)4/h7,9-12,14,17-20,24,27H,6,8,13,15-16H2,1-5H3,(H,30,31)(H,33,34)/t20-,24+,27-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410034
PNG
(US10370339, Example 2-41)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(cc2)C(C)C)nc2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C29H39N3O2/c1-18(2)22-9-11-23(12-10-22)30-29-31-25-17-21(8-15-28(33)34)7-14-26(25)32(29)27-16-20(5)6-13-24(27)19(3)4/h7,9-12,14,17-20,24,27H,6,8,13,15-16H2,1-5H3,(H,30,31)(H,33,34)/t20-,24+,27-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410017
PNG
(US10370339, Example 2-24)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(ccc3n2[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(O)=O)cc1
Show InChI InChI=1S/C27H35N3O3/c1-16(2)22-12-6-18(5)14-25(22)30-24-13-7-19(26(31)32)15-23(24)29-27(30)28-20-8-10-21(11-9-20)33-17(3)4/h7-11,13,15-18,22,25H,6,12,14H2,1-5H3,(H,28,29)(H,31,32)/t18-,22+,25-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410022
PNG
(US10370339, Example 2-29)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O
Show InChI InChI=1S/C28H37N3O3/c1-16(2)19-8-10-20(11-9-19)29-28-30-23-14-22(27(32)33)26(34-6)15-25(23)31(28)24-13-18(5)7-12-21(24)17(3)4/h8-11,14-18,21,24H,7,12-13H2,1-6H3,(H,29,30)(H,32,33)/t18-,21+,24-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410024
PNG
(US10370339, Example 2-31)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)20-10-4-16(3)12-23(20)32-22-11-5-17(14-24(33)34)13-21(22)31-25(32)30-18-6-8-19(9-7-18)35-26(27,28)29/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,30,31)(H,33,34)/t16-,20+,23-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410033
PNG
(US10370339, Example 2-40)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C27H32F3N3O3/c1-16(2)21-11-4-17(3)14-24(21)33-23-12-5-18(6-13-25(34)35)15-22(23)32-26(33)31-19-7-9-20(10-8-19)36-27(28,29)30/h5,7-10,12,15-17,21,24H,4,6,11,13-14H2,1-3H3,(H,31,32)(H,34,35)/t17-,21+,24-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410023
PNG
(US10370339, Example 2-30)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(C)C)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C28H37N3O4/c1-16(2)21-12-7-18(5)13-24(21)31-25-15-26(34-6)22(27(32)33)14-23(25)30-28(31)29-19-8-10-20(11-9-19)35-17(3)4/h8-11,14-18,21,24H,7,12-13H2,1-6H3,(H,29,30)(H,32,33)/t18-,21+,24-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410020
PNG
(US10370339, Example 2-27)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
Show InChI InChI=1S/C28H37N3O3/c1-16(2)22-12-7-18(5)13-25(22)31-26-14-19(6)23(27(32)33)15-24(26)30-28(31)29-20-8-10-21(11-9-20)34-17(3)4/h8-11,14-18,22,25H,7,12-13H2,1-6H3,(H,29,30)(H,32,33)/t18-,22+,25-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410039
PNG
(3-(1-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-6...)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C28H34F3N3O4/c1-16(2)21-11-5-17(3)13-23(21)34-24-15-25(37-4)18(6-12-26(35)36)14-22(24)33-27(34)32-19-7-9-20(10-8-19)38-28(29,30)31/h7-10,14-17,21,23H,5-6,11-13H2,1-4H3,(H,32,33)(H,35,36)/t17-,21+,23-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410021
PNG
(US10370339, Example 2-28)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O
Show InChI InChI=1S/C26H30F3N3O4/c1-14(2)18-10-5-15(3)11-21(18)32-22-13-23(35-4)19(24(33)34)12-20(22)31-25(32)30-16-6-8-17(9-7-16)36-26(27,28)29/h6-9,12-15,18,21H,5,10-11H2,1-4H3,(H,30,31)(H,33,34)/t15-,18+,21-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410030
PNG
(US10370339, Example 2-37)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CC(O)=O
Show InChI InChI=1S/C27H32F3N3O4/c1-15(2)20-10-5-16(3)11-22(20)33-23-14-24(36-4)17(13-25(34)35)12-21(23)32-26(33)31-18-6-8-19(9-7-18)37-27(28,29)30/h6-9,12,14-16,20,22H,5,10-11,13H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+,22-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410029
PNG
(US10370339, Example 2-36)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
Show InChI InChI=1S/C29H39N3O3/c1-17(2)24-12-7-19(5)13-26(24)32-27-14-20(6)21(16-28(33)34)15-25(27)31-29(32)30-22-8-10-23(11-9-22)35-18(3)4/h8-11,14-15,17-19,24,26H,7,12-13,16H2,1-6H3,(H,30,31)(H,33,34)/t19-,24+,26-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410007
PNG
(US10370339, Example 2-14)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(cc3)C(C)C)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1C
Show InChI InChI=1S/C30H41N3O2/c1-18(2)22-9-11-24(12-10-22)31-30-32-26-16-23(17-29(34)35-7)21(6)15-28(26)33(30)27-14-20(5)8-13-25(27)19(3)4/h9-12,15-16,18-20,25,27H,8,13-14,17H2,1-7H3,(H,31,32)/t20-,25+,27-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM409994
PNG
(US10370339, Example 2-1 | US10370339, Example 2-4 ...)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)20-11-5-16(3)13-23(20)32-22-12-6-17(24(33)34-4)14-21(22)31-25(32)30-18-7-9-19(10-8-18)35-26(27,28)29/h6-10,12,14-16,20,23H,5,11,13H2,1-4H3,(H,30,31)/t16-,20+,23-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM409998
PNG
(US10370339, Example 2-5)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(cc3)C(C)C)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1C
Show InChI InChI=1S/C29H39N3O2/c1-17(2)21-9-11-22(12-10-21)30-29-31-25-16-24(28(33)34-7)20(6)15-27(25)32(29)26-14-19(5)8-13-23(26)18(3)4/h9-12,15-19,23,26H,8,13-14H2,1-7H3,(H,30,31)/t19-,23+,26-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410026
PNG
(US10370339, Example 2-33)
Show SMILES CC(C)Oc1ccc(Nc2nc3cc(CC(O)=O)ccc3n2[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
Show InChI InChI=1S/C28H37N3O3/c1-17(2)23-12-6-19(5)14-26(23)31-25-13-7-20(16-27(32)33)15-24(25)30-28(31)29-21-8-10-22(11-9-21)34-18(3)4/h7-11,13,15,17-19,23,26H,6,12,14,16H2,1-5H3,(H,29,30)(H,32,33)/t19-,23+,26-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410006
PNG
(US10370339, Example 2-13)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1C
Show InChI InChI=1S/C28H34F3N3O3/c1-16(2)22-11-6-17(3)12-24(22)34-25-13-18(4)19(15-26(35)36-5)14-23(25)33-27(34)32-20-7-9-21(10-8-20)37-28(29,30)31/h7-10,13-14,16-17,22,24H,6,11-12,15H2,1-5H3,(H,32,33)/t17-,22+,24-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM409995
PNG
(US10370339, Example 2-2)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(cc3)C(C)C)nc2c1
Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-8-11-22(12-9-20)29-28-30-24-16-21(27(32)33-6)10-14-25(24)31(28)26-15-19(5)7-13-23(26)18(3)4/h8-12,14,16-19,23,26H,7,13,15H2,1-6H3,(H,29,30)/t19-,23+,26-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410010
PNG
(US10370339, Example 2-17)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(cc3)C(C)C)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C30H41N3O3/c1-18(2)21-9-11-23(12-10-21)31-30-32-25-15-22(16-29(34)36-7)28(35-6)17-27(25)33(30)26-14-20(5)8-13-24(26)19(3)4/h9-12,15,17-20,24,26H,8,13-14,16H2,1-7H3,(H,31,32)/t20-,24+,26-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410009
PNG
(US10370339, Example 2-16)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C28H34F3N3O4/c1-16(2)21-11-6-17(3)12-23(21)34-24-15-25(36-4)18(14-26(35)37-5)13-22(24)33-27(34)32-19-7-9-20(10-8-19)38-28(29,30)31/h7-10,13,15-17,21,23H,6,11-12,14H2,1-5H3,(H,32,33)/t17-,21+,23-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410032
PNG
(US10370339, Example 2-39)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(C)C)cc3)nc2cc1CC(O)=O
Show InChI InChI=1S/C29H39N3O4/c1-17(2)23-12-7-19(5)13-25(23)32-26-16-27(35-6)20(15-28(33)34)14-24(26)31-29(32)30-21-8-10-22(11-9-21)36-18(3)4/h8-11,14,16-19,23,25H,7,12-13,15H2,1-6H3,(H,30,31)(H,33,34)/t19-,23+,25-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410008
PNG
(US10370339, Example 2-15)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(OC(C)C)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1C
Show InChI InChI=1S/C30H41N3O3/c1-18(2)25-13-8-20(5)14-27(25)33-28-15-21(6)22(17-29(34)35-7)16-26(28)32-30(33)31-23-9-11-24(12-10-23)36-19(3)4/h9-12,15-16,18-20,25,27H,8,13-14,17H2,1-7H3,(H,31,32)/t20-,25+,27-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410004
PNG
(US10370339, Example 2-11)
Show SMILES COC(=O)Cc1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(cc3)C(C)C)nc2c1
Show InChI InChI=1S/C29H39N3O2/c1-18(2)22-9-11-23(12-10-22)30-29-31-25-16-21(17-28(33)34-6)8-14-26(25)32(29)27-15-20(5)7-13-24(27)19(3)4/h8-12,14,16,18-20,24,27H,7,13,15,17H2,1-6H3,(H,30,31)/t20-,24+,27-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410012
PNG
(US10370339, Example 2-19)
Show SMILES COC(=O)CCc1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)22-12-5-18(3)15-25(22)34-24-13-6-19(7-14-26(35)36-4)16-23(24)33-27(34)32-20-8-10-21(11-9-20)37-28(29,30)31/h6,8-11,13,16-18,22,25H,5,7,12,14-15H2,1-4H3,(H,32,33)/t18-,22+,25-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410000
PNG
(US10370339, Example 2-7)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C27H32F3N3O4/c1-15(2)19-11-6-16(3)12-22(19)33-23-14-24(35-4)20(25(34)36-5)13-21(23)32-26(33)31-17-7-9-18(10-8-17)37-27(28,29)30/h7-10,13-16,19,22H,6,11-12H2,1-5H3,(H,31,32)/t16-,19+,22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410003
PNG
(US10370339, Example 2-10)
Show SMILES COC(=O)Cc1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C27H32F3N3O3/c1-16(2)21-11-5-17(3)13-24(21)33-23-12-6-18(15-25(34)35-4)14-22(23)32-26(33)31-19-7-9-20(10-8-19)36-27(28,29)30/h6-10,12,14,16-17,21,24H,5,11,13,15H2,1-4H3,(H,31,32)/t17-,21+,24-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM409994
PNG
(US10370339, Example 2-1 | US10370339, Example 2-4 ...)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)20-11-5-16(3)13-23(20)32-22-12-6-17(24(33)34-4)14-21(22)31-25(32)30-18-7-9-19(10-8-18)35-26(27,28)29/h6-10,12,14-16,20,23H,5,11,13H2,1-4H3,(H,30,31)/t16-,20+,23-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410011
PNG
(US10370339, Example 2-18)
Show SMILES COC(=O)Cc1cc2nc(Nc3ccc(OC(C)C)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C30H41N3O4/c1-18(2)24-13-8-20(5)14-26(24)33-27-17-28(35-6)21(16-29(34)36-7)15-25(27)32-30(33)31-22-9-11-23(12-10-22)37-19(3)4/h9-12,15,17-20,24,26H,8,13-14,16H2,1-7H3,(H,31,32)/t20-,24+,26-/m1/s1
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US Patent
n/an/a 120n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410013
PNG
(US10370339, Example 2-20)
Show SMILES COC(=O)CCc1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(cc3)C(C)C)nc2c1
Show InChI InChI=1S/C30H41N3O2/c1-19(2)23-10-12-24(13-11-23)31-30-32-26-18-22(9-16-29(34)35-6)8-15-27(26)33(30)28-17-21(5)7-14-25(28)20(3)4/h8,10-13,15,18-21,25,28H,7,9,14,16-17H2,1-6H3,(H,31,32)/t21-,25+,28-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410001
PNG
(US10370339, Example 2-8)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(cc3)C(C)C)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C29H39N3O3/c1-17(2)20-9-11-21(12-10-20)30-29-31-24-15-23(28(33)35-7)27(34-6)16-26(24)32(29)25-14-19(5)8-13-22(25)18(3)4/h9-12,15-19,22,25H,8,13-14H2,1-7H3,(H,30,31)/t19-,22+,25-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410038
PNG
(US10370339, Example 2-45)
Show SMILES COC(=O)CCc1cc2nc(Nc3ccc(cc3)C(C)C)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C31H43N3O3/c1-19(2)22-9-12-24(13-10-22)32-31-33-26-17-23(11-15-30(35)37-7)29(36-6)18-28(26)34(31)27-16-21(5)8-14-25(27)20(3)4/h9-10,12-13,17-21,25,27H,8,11,14-16H2,1-7H3,(H,32,33)/t21-,25+,27-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410036
PNG
(US10370339, Example 2-43 | methyl 3-(1-[(1R,2S,5R)...)
Show SMILES COC(=O)CCc1cc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C29H36F3N3O4/c1-17(2)22-12-6-18(3)14-24(22)35-25-16-26(37-4)19(7-13-27(36)38-5)15-23(25)34-28(35)33-20-8-10-21(11-9-20)39-29(30,31)32/h8-11,15-18,22,24H,6-7,12-14H2,1-5H3,(H,33,34)/t18-,22+,24-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM409996
PNG
(US10370339, Example 2-3)
Show SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C28H37N3O3/c1-17(2)23-13-7-19(5)15-26(23)31-25-14-8-20(27(32)33-6)16-24(25)30-28(31)29-21-9-11-22(12-10-21)34-18(3)4/h8-12,14,16-19,23,26H,7,13,15H2,1-6H3,(H,29,30)/t19-,23+,26-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM409999
PNG
(US10370339, Example 2-6)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(OC(C)C)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1C
Show InChI InChI=1S/C29H39N3O3/c1-17(2)23-13-8-19(5)14-26(23)32-27-15-20(6)24(28(33)34-7)16-25(27)31-29(32)30-21-9-11-22(12-10-21)35-18(3)4/h9-12,15-19,23,26H,8,13-14H2,1-7H3,(H,30,31)/t19-,23+,26-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410002
PNG
(US10370339, Example 2-9)
Show SMILES COC(=O)c1cc2nc(Nc3ccc(OC(C)C)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C29H39N3O4/c1-17(2)22-13-8-19(5)14-25(22)32-26-16-27(34-6)23(28(33)35-7)15-24(26)31-29(32)30-20-9-11-21(12-10-20)36-18(3)4/h9-12,15-19,22,25H,8,13-14H2,1-7H3,(H,30,31)/t19-,22+,25-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410005
PNG
(US10370339, Example 2-12)
Show SMILES COC(=O)Cc1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C29H39N3O3/c1-18(2)24-13-7-20(5)15-27(24)32-26-14-8-21(17-28(33)34-6)16-25(26)31-29(32)30-22-9-11-23(12-10-22)35-19(3)4/h8-12,14,16,18-20,24,27H,7,13,15,17H2,1-6H3,(H,30,31)/t20-,24+,27-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410014
PNG
(US10370339, Example 2-21)
Show SMILES COC(=O)CCc1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C30H41N3O3/c1-19(2)25-14-7-21(5)17-28(25)33-27-15-8-22(9-16-29(34)35-6)18-26(27)32-30(33)31-23-10-12-24(13-11-23)36-20(3)4/h8,10-13,15,18-21,25,28H,7,9,14,16-17H2,1-6H3,(H,31,32)/t21-,25+,28-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410037
PNG
(US10370339, Example 2-44)
Show SMILES COC(=O)CCc1cc2nc(Nc3ccc(OC(C)C)cc3)n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2cc1OC
Show InChI InChI=1S/C31H43N3O4/c1-19(2)25-14-8-21(5)16-27(25)34-28-18-29(36-6)22(9-15-30(35)37-7)17-26(28)33-31(34)32-23-10-12-24(13-11-23)38-20(3)4/h10-13,17-21,25,27H,8-9,14-16H2,1-7H3,(H,32,33)/t21-,25+,27-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM410040
PNG
(US10370339, Example 2-47)
Show SMILES COc1cc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(C)C)cc3)nc2cc1CCC(O)=O
Show InChI InChI=1S/C30H41N3O4/c1-18(2)24-13-7-20(5)15-26(24)33-27-17-28(36-6)21(8-14-29(34)35)16-25(27)32-30(33)31-22-9-11-23(12-10-22)37-19(3)4/h9-12,16-20,24,26H,7-8,13-15H2,1-6H3,(H,31,32)(H,34,35)/t20-,24+,26-/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
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%