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Patent code US9434719

Compile Data Set for Download or QSAR

Found 783 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
Isocitrate Dehydrogenase (IDH1)


(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 ph...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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 biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247944
PNG
(US9434719, 309 as TFA salt)
Show SMILES C[C@@H](O)C1COC(=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

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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 ph...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247944
PNG
(US9434719, 309 as TFA salt)
Show SMILES C[C@@H](O)C1COC(=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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247494
PNG
(US9434719, 28)
Show SMILES CC(O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)C2CCN(CC2)c2ccc(Cl)c(OC(F)(F)F)c2)ncc1F
Show InChI InChI=1S/C23H26ClF4N5O4/c1-12(30-21-29-10-17(25)20(31-21)33-18(13(2)34)11-36-22(33)35)14-5-7-32(8-6-14)15-3-4-16(24)19(9-15)37-23(26,27)28/h3-4,9-10,12-14,18,34H,5-8,11H2,1-2H3,(H,29,30,31)/t12-,13?,18+/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247937
PNG
(US9434719, 200)
Show SMILES C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2cccc(c2F)C(F)(F)F)n1
Show InChI InChI=1S/C22H20F4N6O3/c1-11(30-20-27-7-6-17(31-20)32-16(12(2)33)10-35-21(32)34)19-28-8-13(9-29-19)14-4-3-5-15(18(14)23)22(24,25)26/h3-9,11-12,16,33H,10H2,1-2H3,(H,27,30,31)/t11?,12-,16?/m1/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247935
PNG
(US9434719, 196)
Show SMILES C[C@H](O)C1COC(=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?/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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 biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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
PDB

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NOVARTIS AG

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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 ph...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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 biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247954
PNG
(US9434719, 463 as TFA salt)
Show SMILES C[C@H](F)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cc2F)-c2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C22H19F5N6O2/c1-11(23)16-10-35-21(34)33(16)18-4-6-29-20(32-18)31-12(2)19-15(24)7-14(9-30-19)13-3-5-28-17(8-13)22(25,26)27/h3-9,11-12,16H,10H2,1-2H3,(H,29,31,32)/t11-,12-,16?/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247933
PNG
(US9434719, 192)
Show SMILES C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)ncc1F
Show InChI InChI=1S/C21H19Cl2FN6O3/c1-10(18-25-6-13(7-26-18)12-3-4-14(22)15(23)5-12)28-20-27-8-16(24)19(29-20)30-17(11(2)31)9-33-21(30)32/h3-8,10-11,17,31H,9H2,1-2H3,(H,27,28,29)/t10?,11-,17?/m1/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247594
PNG
(US9434719, 187 | US9688672, Example 187)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F
Show InChI InChI=1S/C21H21ClFN5O4/c1-10-17(13-4-6-14(22)7-5-13)32-19(25-10)11(2)26-20-24-8-15(23)18(27-20)28-16(12(3)29)9-31-21(28)30/h4-8,11-12,16,29H,9H2,1-3H3,(H,24,26,27)/t11?,12-,16-/m1/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247859
PNG
(US9434719, 466 | US9688672, Example 466)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)/t13-,14-,18+/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(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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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247611
PNG
(US9434719, 213 | US9434719, 213 as TFA salt)
Show SMILES C[C@@H](O)C1COC(=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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Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247636
PNG
(US9434719, 238 as TFA salt | US9688672, Example 23...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H23ClN6O3/c1-12-8-19(28-18(14(3)29)10-31-21(28)30)26-20(24-12)25-13(2)17-9-27(11-23-17)16-6-4-15(22)5-7-16/h4-9,11,13-14,18,29H,10H2,1-3H3,(H,24,25,26)/t13-,14+,18+/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247906
PNG
(US9434719, 138)
Show SMILES C[C@@H](O)C1COC(=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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Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247576
PNG
(US9434719, 151)
Show SMILES CCc1ccc(cc1)-c1noc(n1)C(C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)[C@@H](C)O
Show InChI InChI=1S/C21H23FN6O4/c1-4-13-5-7-14(8-6-13)17-25-19(32-27-17)11(2)24-20-23-9-15(22)18(26-20)28-16(12(3)29)10-31-21(28)30/h5-9,11-12,16,29H,4,10H2,1-3H3,(H,23,24,26)/t11?,12-,16-/m1/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


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More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247863
PNG
(US9434719, 470)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C23H21F5N6O2/c1-11-6-17(30-8-15(11)14-4-5-29-19(7-14)23(26,27)28)13(3)32-21-31-9-16(25)20(33-21)34-18(12(2)24)10-36-22(34)35/h4-9,12-13,18H,10H2,1-3H3,(H,31,32,33)/t12-,13-,18+/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247635
PNG
(US9434719, 237 as TFA salt | US9688672, Example 23...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H22ClN5O3S/c1-11-8-18(27-16(13(3)28)10-30-21(27)29)26-20(24-11)25-12(2)17-9-23-19(31-17)14-4-6-15(22)7-5-14/h4-9,12-13,16,28H,10H2,1-3H3,(H,24,25,26)/t12-,13+,16+/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247955
PNG
(US9434719, 321 as TFA salt)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(Cl)c(Cl)cc2F)ncc1Cl
Show InChI InChI=1S/C17H16Cl3FN4O3/c1-7(9-3-10(18)11(19)4-13(9)21)23-16-22-5-12(20)15(24-16)25-14(8(2)26)6-28-17(25)27/h3-5,7-8,14,26H,6H2,1-2H3,(H,22,23,24)/t7-,8+,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 ph...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247883
PNG
(US9434719, 90)
Show SMILES C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cc(Cl)cc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C22H20ClF3N6O3/c1-11(30-20-27-4-3-18(31-20)32-17(12(2)33)10-35-21(32)34)19-28-8-14(9-29-19)13-5-15(22(24,25)26)7-16(23)6-13/h3-9,11-12,17,33H,10H2,1-2H3,(H,27,30,31)/t11-,12+,17?/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247880
PNG
(US9434719, 84)
Show SMILES C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C21H20Cl2N6O3/c1-11(19-25-8-14(9-26-19)13-3-4-15(22)16(23)7-13)27-20-24-6-5-18(28-20)29-17(12(2)30)10-32-21(29)31/h3-9,11-12,17,30H,10H2,1-2H3,(H,24,27,28)/t11-,12+,17?/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM247621
PNG
(US9434719, 223 as TFA salt | US9688672, Example 22...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(CF)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H21ClFN5O3S/c1-11(17-9-24-19(32-17)13-3-5-14(22)6-4-13)25-20-26-15(8-23)7-18(27-20)28-16(12(2)29)10-31-21(28)30/h3-7,9,11-12,16,29H,8,10H2,1-2H3,(H,25,26,27)/t11-,12+,16+/m0/s1
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Assay Description
The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate Dehydrogenase (IDH1)


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


Citation and Details
More data for this
Ligand-Target Pair
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