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Patent code US9688672

Compile Data Set for Download or QSAR

Found 450 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
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247849
PNG
(US9434719, 456 | US9688672, Example 456)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)F)n1
Show InChI InChI=1S/C21H21F3N6O2/c1-12(22)17-10-32-21(31)30(17)18-7-8-25-20(28-18)27-13(2)16-9-29(11-26-16)15-5-3-14(4-6-15)19(23)24/h3-9,11-13,17,19H,10H2,1-2H3,(H,25,27,28)/t12-,13-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247707
PNG
(US9434719, 309 | US9688672, Example 309)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247707
PNG
(US9434719, 309 | US9688672, Example 309)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247614
PNG
(US9434719, 216 as TFA salt | US9688672, Example 21...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H19Cl2N5O3S/c1-10(15-8-23-18(31-15)12-3-5-13(21)6-4-12)24-19-25-16(22)7-17(26-19)27-14(11(2)28)9-30-20(27)29/h3-8,10-11,14,28H,9H2,1-2H3,(H,24,25,26)/t10-,11+,14+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247567
PNG
(US9434719, 133 | US9688672, Example 133)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2cc(no2)-c2ccc(Cl)c(Cl)c2)ncc1F
Show InChI InChI=1S/C20H18Cl2FN5O4/c1-9(17-6-15(27-32-17)11-3-4-12(21)13(22)5-11)25-19-24-7-14(23)18(26-19)28-16(10(2)29)8-31-20(28)30/h3-7,9-10,16,29H,8H2,1-2H3,(H,24,25,26)/t9?,10-,16-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247760
PNG
(US9434719, 363 as TFA salt | US9688672, Example 36...)
Show SMILES CC(C)COc1ccc([C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1
Show InChI InChI=1S/C21H26F2N4O4/c1-11(2)9-30-14-5-6-15(16(22)7-14)12(3)25-20-24-8-17(23)19(26-20)27-18(13(4)28)10-31-21(27)29/h5-8,11-13,18,28H,9-10H2,1-4H3,(H,24,25,26)/t12-,13+,18+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247590
PNG
(US9434719, 179 | US9688672, Example 179)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(Cl)c(OC(F)(F)F)c2)ncc1F
Show InChI InChI=1S/C20H17ClF4N6O5/c1-8(17-28-15(30-36-17)10-3-4-11(21)14(5-10)35-20(23,24)25)27-18-26-6-12(22)16(29-18)31-13(9(2)32)7-34-19(31)33/h3-6,8-9,13,32H,7H2,1-2H3,(H,26,27,29)/t8?,9-,13-/m1/s1
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US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247701
PNG
(US9434719, 303 | US9688672, Example 303)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OCC(F)(F)F)c(F)c2)ncc1F
Show InChI InChI=1S/C19H19F5N4O4/c1-9(11-3-4-15(12(20)5-11)32-8-19(22,23)24)26-17-25-6-13(21)16(27-17)28-14(10(2)29)7-31-18(28)30/h3-6,9-10,14,29H,7-8H2,1-2H3,(H,25,26,27)/t9-,10+,14+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247860
PNG
(US9434719, 467 | US9688672, Example 467)
Show SMILES C[C@H](F)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cccc(c2F)C(F)(F)F)n1
Show InChI InChI=1S/C22H19F5N6O2/c1-11(23)16-10-35-21(34)33(16)17-6-7-28-20(32-17)31-12(2)19-29-8-13(9-30-19)14-4-3-5-15(18(14)24)22(25,26)27/h3-9,11-12,16H,10H2,1-2H3,(H,28,31,32)/t11-,12-,16?/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247624
PNG
(US9434719, 226 as TFA salt | US9688672, Example 22...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(no2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H19Cl2N5O4/c1-10(16-7-14(26-31-16)12-3-5-13(21)6-4-12)23-19-24-17(22)8-18(25-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,23,24,25)/t10-,11+,15+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247698
PNG
(US9434719, 300 | US9688672, Example 300)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F
Show InChI InChI=1S/C20H20ClFN6O3/c1-11(16-8-27(10-24-16)14-5-3-13(21)4-6-14)25-19-23-7-15(22)18(26-19)28-17(12(2)29)9-31-20(28)30/h3-8,10-12,17,29H,9H2,1-2H3,(H,23,25,26)/t11-,12+,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247605
PNG
(US9434719, 207 as TFA salt | US9688672, Example 20...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H18Cl2N6O4/c1-9(17-25-16(26-31-17)11-3-5-12(20)6-4-11)22-18-23-14(21)7-15(24-18)27-13(10(2)28)8-30-19(27)29/h3-7,9-10,13,28H,8H2,1-2H3,(H,22,23,24)/t9-,10+,13+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM175219
PNG
(US9688672, Example 213)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H19Cl2N5O4/c1-10(14-7-16(31-26-14)12-3-5-13(21)6-4-12)23-19-24-17(22)8-18(25-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,23,24,25)/t10-,11+,15+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247568
PNG
(US9434719, 135 | US9688672, Example 135)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2cc(no2)-c2ccc(Cl)cc2Cl)ncc1F
Show InChI InChI=1S/C20H18Cl2FN5O4/c1-9(17-6-15(27-32-17)12-4-3-11(21)5-13(12)22)25-19-24-7-14(23)18(26-19)28-16(10(2)29)8-31-20(28)30/h3-7,9-10,16,29H,8H2,1-2H3,(H,24,25,26)/t9?,10-,16-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247570
PNG
(US9434719, 139 | US9688672, Example 139)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C22H20F4N6O3/c1-11(18-27-7-14(8-28-18)13-4-3-5-15(6-13)22(24,25)26)30-20-29-9-16(23)19(31-20)32-17(12(2)33)10-35-21(32)34/h3-9,11-12,17,33H,10H2,1-2H3,(H,29,30,31)/t11?,12-,17-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247869
PNG
(US9434719, 476 as TFA salt | US9688672, Example 47...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2F)n1
Show InChI InChI=1S/C20H19ClF2N6O2/c1-11(22)17-9-31-20(30)29(17)18-5-6-24-19(27-18)26-12(2)15-8-28(10-25-15)16-4-3-13(21)7-14(16)23/h3-8,10-12,17H,9H2,1-2H3,(H,24,26,27)/t11-,12-,17+/m0/s1
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US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM175541
PNG
(US9688672, Example 321)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(Cl)c(cc2F)-n2cnc(C)c2)n1
Show InChI InChI=1S/C21H22ClFN6O3/c1-11-8-28(10-25-11)17-7-16(23)14(6-15(17)22)12(2)26-20-24-5-4-19(27-20)29-18(13(3)30)9-32-21(29)31/h4-8,10,12-13,18,30H,9H2,1-3H3,(H,24,26,27)/t12-,13+,18+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247513
PNG
(US9434719, 51 | US9688672, Example 51)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C23H22F3N5O3/c1-13(18-7-6-16(11-28-18)15-4-3-5-17(10-15)23(24,25)26)29-21-27-9-8-20(30-21)31-19(14(2)32)12-34-22(31)33/h3-11,13-14,19,32H,12H2,1-2H3,(H,27,29,30)/t13-,14+,19+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247617
PNG
(US9434719, 219 as TFA salt | US9688672, Example 21...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2nnc(s2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H18Cl2N6O3S/c1-9(16-25-26-17(31-16)11-3-5-12(20)6-4-11)22-18-23-14(21)7-15(24-18)27-13(10(2)28)8-30-19(27)29/h3-7,9-10,13,28H,8H2,1-2H3,(H,22,23,24)/t9-,10+,13+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247661
PNG
(US9434719, 263 as TFA salt | US9688672, Example 26...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C2(C)CC2)ncc1F
Show InChI InChI=1S/C21H24F2N4O3/c1-11(14-5-4-13(8-15(14)22)21(3)6-7-21)25-19-24-9-16(23)18(26-19)27-17(12(2)28)10-30-20(27)29/h4-5,8-9,11-12,17,28H,6-7,10H2,1-3H3,(H,24,25,26)/t11-,12+,17+/m0/s1
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US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247618
PNG
(US9434719, 220 as TFA salt | US9688672, Example 22...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(13-8-23-27(9-13)15-5-3-14(21)4-6-15)24-19-25-17(22)7-18(26-19)28-16(12(2)29)10-31-20(28)30/h3-9,11-12,16,29H,10H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247625
PNG
(US9434719, 227 as TFA salt | US9688672, Example 22...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(no2)-c2ccc(Cl)cc2)ncc1F
Show InChI InChI=1S/C20H19ClFN5O4/c1-10(17-7-15(26-31-17)12-3-5-13(21)6-4-12)24-19-23-8-14(22)18(25-19)27-16(11(2)28)9-30-20(27)29/h3-8,10-11,16,28H,9H2,1-2H3,(H,23,24,25)/t10-,11+,16+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247526
PNG
(US9434719, 64 | US9688672, Example 64)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C(F)(F)F)n1
Show InChI InChI=1S/C25H27F3N6O3/c1-14(32-22-30-10-8-21(33-22)34-19(15(2)35)13-37-23(34)36)18-6-5-17(12-31-18)16-7-9-29-20(11-16)24(3,4)25(26,27)28/h5-12,14-15,19,35H,13H2,1-4H3,(H,30,32,33)/t14-,15+,19+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247580
PNG
(US9434719, 159 | US9688672, Example 159)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(cc2)C(C)C)ncc1F
Show InChI InChI=1S/C22H25FN6O4/c1-11(2)14-5-7-15(8-6-14)18-26-20(33-28-18)12(3)25-21-24-9-16(23)19(27-21)29-17(13(4)30)10-32-22(29)31/h5-9,11-13,17,30H,10H2,1-4H3,(H,24,25,27)/t12?,13-,17-/m1/s1
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US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247622
PNG
(US9434719, 224 | US9688672, Example 224)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H20ClN5O3S/c1-11(16-9-23-18(30-16)13-3-5-14(21)6-4-13)24-19-22-8-7-17(25-19)26-15(12(2)27)10-29-20(26)28/h3-9,11-12,15,27H,10H2,1-2H3,(H,22,24,25)/t11-,12+,15+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247834
PNG
(US9434719, 441 as TFA salt | US9688672, Example 44...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(F)c(cc1F)-c1ccnc(C)c1
Show InChI InChI=1S/C22H19F4N5O2/c1-11-5-13(3-4-27-11)16-7-17(24)15(6-18(16)25)12(2)29-21-28-9-19(26)20(30-21)31-14(8-23)10-33-22(31)32/h3-7,9,12,14H,8,10H2,1-2H3,(H,28,29,30)/t12-,14-/m0/s1
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US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247848
PNG
(US9434719, 455 as TFA salt | US9688672, Example 45...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(C(F)F)c(F)c2)n1
Show InChI InChI=1S/C21H20F4N6O2/c1-11(22)17-9-33-21(32)31(17)18-5-6-26-20(29-18)28-12(2)16-8-30(10-27-16)13-3-4-14(19(24)25)15(23)7-13/h3-8,10-12,17,19H,9H2,1-2H3,(H,26,28,29)/t11-,12-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247851
PNG
(US9434719, 458 as TFA salt | US9688672, Example 45...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)c(F)c2)n1
Show InChI InChI=1S/C20H19ClF2N6O2/c1-11(22)17-9-31-20(30)29(17)18-5-6-24-19(27-18)26-12(2)16-8-28(10-25-16)13-3-4-14(21)15(23)7-13/h3-8,10-12,17H,9H2,1-2H3,(H,24,26,27)/t11-,12-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247525
PNG
(US9434719, 63 | US9688672, Example 63)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1
Show InChI InChI=1S/C25H30N6O3/c1-15(19-7-6-18(13-28-19)17-8-10-26-21(12-17)25(3,4)5)29-23-27-11-9-22(30-23)31-20(16(2)32)14-34-24(31)33/h6-13,15-16,20,32H,14H2,1-5H3,(H,27,29,30)/t15-,16+,20+/m0/s1
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US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247822
PNG
(US9434719, 429 | US9688672, Example 429)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClF2N6O2/c1-11(16-8-27(10-24-16)13-4-2-12(20)3-5-13)25-18-23-7-15(22)17(26-18)28-14(6-21)9-30-19(28)29/h2-5,7-8,10-11,14H,6,9H2,1H3,(H,23,25,26)/t11-,14-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247599
PNG
(US9434719, 197 | US9688672, Example 197)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(C)c(s2)-c2ccnc(c2)C(C)(C)C(F)(F)F)n1
Show InChI InChI=1S/C24H27F3N6O3S/c1-12-19(15-6-8-28-17(10-15)23(4,5)24(25,26)27)37-20(30-12)13(2)31-21-29-9-7-18(32-21)33-16(14(3)34)11-36-22(33)35/h6-10,13-14,16,34H,11H2,1-5H3,(H,29,31,32)/t13?,14-,16-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247602
PNG
(US9434719, 203 | US9688672, Example 203)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(o2)-c2ccc(Cl)cc2)ncc1F
Show InChI InChI=1S/C20H19ClFN5O4/c1-10(18-23-8-16(31-18)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10?,11-,15-/m1/s1
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US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247841
PNG
(US9434719, 448 as TFA salt | US9688672, Example 44...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)c(F)c2)ncc1F
Show InChI InChI=1S/C20H18ClF3N6O2/c1-10(22)17-8-32-20(31)30(17)18-15(24)6-25-19(28-18)27-11(2)16-7-29(9-26-16)12-3-4-13(21)14(23)5-12/h3-7,9-11,17H,8H2,1-2H3,(H,25,27,28)/t10-,11-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247496
PNG
(US9434719, 30 | US9434719, 31 | US9434719, 32 | US...)
Show SMILES C[C@H](Nc1nccc(n1)N1C(COC1=O)C(C)C(F)(F)F)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClF3N6O3/c1-10(20(22,23)24)14-9-32-19(31)30(14)15-7-8-25-18(27-15)26-11(2)17-28-16(29-33-17)12-3-5-13(21)6-4-12/h3-8,10-11,14H,9H2,1-2H3,(H,25,26,27)/t10?,11-,14?/m0/s1
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Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247785
PNG
(US9434719, 388 as TFA salt | US9688672, Example 38...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H20ClFN6O2/c1-12(22)17-10-30-20(29)28(17)18-7-8-23-19(26-18)25-13(2)16-9-27(11-24-16)15-5-3-14(21)4-6-15/h3-9,11-13,17H,10H2,1-2H3,(H,23,25,26)/t12-,13-,17+/m0/s1
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Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247837
PNG
(US9434719, 444 as TFA salt | US9688672, Example 44...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(F)c(cc1F)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F7N5O2/c1-10(32-20-31-8-17(26)19(33-20)34-12(7-23)9-36-21(34)35)13-5-16(25)14(6-15(13)24)11-2-3-30-18(4-11)22(27,28)29/h2-6,8,10,12H,7,9H2,1H3,(H,31,32,33)/t10-,12-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247849
PNG
(US9434719, 456 | US9688672, Example 456)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)F)n1
Show InChI InChI=1S/C21H21F3N6O2/c1-12(22)17-10-32-21(31)30(17)18-7-8-25-20(28-18)27-13(2)16-9-29(11-26-16)15-5-3-14(4-6-15)19(23)24/h3-9,11-13,17,19H,10H2,1-2H3,(H,25,27,28)/t12-,13-,17+/m0/s1
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Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247843
PNG
(US9434719, 450 as TFA salt | US9688672, Example 45...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F
Show InChI InChI=1S/C20H19ClF2N6O2/c1-11(22)17-9-31-20(30)29(17)18-15(23)7-24-19(27-18)26-12(2)16-8-28(10-25-16)14-5-3-13(21)4-6-14/h3-8,10-12,17H,9H2,1-2H3,(H,24,26,27)/t11-,12-,17+/m0/s1
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Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247819
PNG
(US9434719, 426 as TFA salt | US9688672, Example 42...)
Show SMILES C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1cn(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClF2N6O2/c1-12(19(23)24)17-10-32-21(31)30(17)18-7-8-25-20(28-18)27-13(2)16-9-29(11-26-16)15-5-3-14(22)4-6-15/h3-9,11-13,17,19H,10H2,1-2H3,(H,25,27,28)/t12-,13+,17-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247825
PNG
(US9434719, 432 as TFA salt | US9688672, Example 43...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C19H16ClF3N6O2/c1-10(16-7-28(9-25-16)11-2-3-13(20)14(22)4-11)26-18-24-6-15(23)17(27-18)29-12(5-21)8-31-19(29)30/h2-4,6-7,9-10,12H,5,8H2,1H3,(H,24,26,27)/t10-,12-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247850
PNG
(US9434719, 457 as TFA salt | US9688672, Example 45...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C20H19ClF2N6O2/c1-11(22)17-9-31-20(30)29(17)18-5-6-24-19(27-18)26-12(2)16-8-28(10-25-16)13-3-4-15(23)14(21)7-13/h3-8,10-12,17H,9H2,1-2H3,(H,24,26,27)/t11-,12-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247736
PNG
(US9434719, 339 as TFA salt | US9688672, Example 33...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(s2)-c2ccccc2)n1
Show InChI InChI=1S/C21H21ClN4O3S/c1-12(16-8-9-17(30-16)14-6-4-3-5-7-14)23-20-24-18(22)10-19(25-20)26-15(13(2)27)11-29-21(26)28/h3-10,12-13,15,27H,11H2,1-2H3,(H,23,24,25)/t12-,13+,15+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247828
PNG
(US9434719, 435 as TFA salt | US9688672, Example 43...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(C(F)F)c(F)c1
Show InChI InChI=1S/C20H17F5N6O2/c1-10(16-7-30(9-27-16)11-2-3-13(17(24)25)14(22)4-11)28-19-26-6-15(23)18(29-19)31-12(5-21)8-33-20(31)32/h2-4,6-7,9-10,12,17H,5,8H2,1H3,(H,26,28,29)/t10-,12-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247827
PNG
(US9434719, 434 as TFA salt | US9688672, Example 43...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)F
Show InChI InChI=1S/C20H18F4N6O2/c1-11(16-8-29(10-26-16)13-4-2-12(3-5-13)17(23)24)27-19-25-7-15(22)18(28-19)30-14(6-21)9-32-20(30)31/h2-5,7-8,10-11,14,17H,6,9H2,1H3,(H,25,27,28)/t11-,14-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247873
PNG
(US9434719, 480 | US9688672, Example 480)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1ncc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClF2N5O3/c1-10(17-23-8-15(30-17)11-2-4-12(20)5-3-11)25-18-24-7-14(22)16(26-18)27-13(6-21)9-29-19(27)28/h2-5,7-8,10,13H,6,9H2,1H3,(H,24,25,26)/t10-,13-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247870
PNG
(US9434719, 477 | US9688672, Example 477)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2F)ncc1F
Show InChI InChI=1S/C20H18ClF3N6O2/c1-10(22)17-8-32-20(31)30(17)18-14(24)6-25-19(28-18)27-11(2)15-7-29(9-26-15)16-4-3-12(21)5-13(16)23/h3-7,9-11,17H,8H2,1-2H3,(H,25,27,28)/t10-,11-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247782
PNG
(US9434719, 385 | US9688672, Example 385)
Show SMILES C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H20ClFN6O2/c1-12(22)17-10-30-20(29)28(17)18-7-8-23-19(26-18)25-13(2)16-9-27(11-24-16)15-5-3-14(21)4-6-15/h3-9,11-13,17H,10H2,1-2H3,(H,23,25,26)/t12-,13+,17-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247626
PNG
(US9434719, 228 | US9688672, Example 228)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H20ClFN6O3/c1-11(13-8-23-27(9-13)15-5-3-14(21)4-6-15)24-19-25-17(22)7-18(26-19)28-16(12(2)29)10-31-20(28)30/h3-9,11-12,16,29H,10H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247796
PNG
(US9434719, 399 as TFA salt | US9688672, Example 39...)
Show SMILES C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F
Show InChI InChI=1S/C20H19ClF2N6O2/c1-11(22)17-9-31-20(30)29(17)18-15(23)7-24-19(27-18)26-12(2)16-8-28(10-25-16)14-5-3-13(21)4-6-14/h3-8,10-12,17H,9H2,1-2H3,(H,24,26,27)/t11-,12+,17-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247798
PNG
(US9434719, 401 | US9688672, Example 401)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C20H20F2N6O2/c1-12(21)17-10-30-20(29)28(17)18-7-8-23-19(26-18)25-13(2)16-9-27(11-24-16)15-5-3-14(22)4-6-15/h3-9,11-13,17H,10H2,1-2H3,(H,23,25,26)/t12-,13-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...


US Patent US9688672 (2017)

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