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Compile Data Set for Download or QSAR

Found 1653 hits of ph data with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic'   
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 [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247739
PNG
(US10112931, Example 342 | US9434719, 342 as TFA sa...)
Show SMILES CC(C)COc1cccc(c1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O
Show InChI InChI=1S/C21H28N4O4/c1-13(2)11-28-17-7-5-6-16(10-17)14(3)23-20-22-9-8-19(24-20)25-18(15(4)26)12-29-21(25)27/h5-10,13-15,18,26H,11-12H2,1-4H3,(H,22,23,24)/t14-,15+,18+/m0/s1
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n/an/a 4.00E+3n/an/an/an/a7.425



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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247740
PNG
(US10112931, Example 343 | US9434719, 343 as TFA sa...)
Show SMILES CC(C)CS(=O)(=O)c1ccc(cc1)[C@H](C)Nc1nc(Cl)cc(n1)N1[C@H](COC1=O)[C@@H](C)O
Show InChI InChI=1S/C21H27ClN4O5S/c1-12(2)11-32(29,30)16-7-5-15(6-8-16)13(3)23-20-24-18(22)9-19(25-20)26-17(14(4)27)10-31-21(26)28/h5-9,12-14,17,27H,10-11H2,1-4H3,(H,23,24,25)/t13-,14+,17+/m0/s1
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n/an/a 225n/an/an/an/a7.425



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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247741
PNG
(US10112931, Example 344 | US9434719, 344 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1
Show InChI InChI=1S/C18H19F3N4O4/c1-10(12-3-5-13(6-4-12)29-18(19,20)21)23-16-22-8-7-15(24-16)25-14(11(2)26)9-28-17(25)27/h3-8,10-11,14,26H,9H2,1-2H3,(H,22,23,24)/t10-,11+,14+/m0/s1
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n/an/a 300n/an/an/an/a7.425



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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247742
PNG
(US10112931, Example 345 | US9434719, 345 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)(F)F)c(F)c2)n1
Show InChI InChI=1S/C18H18F4N4O4/c1-9(11-3-4-14(12(19)7-11)30-18(20,21)22)24-16-23-6-5-15(25-16)26-13(10(2)27)8-29-17(26)28/h3-7,9-10,13,27H,8H2,1-2H3,(H,23,24,25)/t9-,10+,13+/m0/s1
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n/an/a 378n/an/an/an/a7.425



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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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247743
PNG
(US10112931, Example 346 | US9434719, 346 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2F)n1
Show InChI InChI=1S/C18H18F4N4O4/c1-9(12-4-3-11(7-13(12)19)30-18(20,21)22)24-16-23-6-5-15(25-16)26-14(10(2)27)8-29-17(26)28/h3-7,9-10,14,27H,8H2,1-2H3,(H,23,24,25)/t9-,10+,14+/m0/s1
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n/an/a 290n/an/an/an/a7.425



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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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247744
PNG
(US10112931, Example 347 | US9434719, 347 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)F)c(F)c2)n1
Show InChI InChI=1S/C18H19F3N4O4/c1-9(11-3-4-14(12(19)7-11)29-16(20)21)23-17-22-6-5-15(24-17)25-13(10(2)26)8-28-18(25)27/h3-7,9-10,13,16,26H,8H2,1-2H3,(H,22,23,24)/t9-,10+,13+/m0/s1
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n/an/a 564n/an/an/an/a7.425



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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247745
PNG
(US10112931, Example 348 | US9434719, 348 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)F)c(F)c2)ncc1F
Show InChI InChI=1S/C18H18F4N4O4/c1-8(10-3-4-14(11(19)5-10)30-16(21)22)24-17-23-6-12(20)15(25-17)26-13(9(2)27)7-29-18(26)28/h3-6,8-9,13,16,27H,7H2,1-2H3,(H,23,24,25)/t8-,9+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247750
PNG
(US10112931, Example 353 | US9434719, 353 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)F)cc2F)ncc1F
Show InChI InChI=1S/C18H18F4N4O4/c1-8(11-4-3-10(5-12(11)19)30-16(21)22)24-17-23-6-13(20)15(25-17)26-14(9(2)27)7-29-18(26)28/h3-6,8-9,14,16,27H,7H2,1-2H3,(H,23,24,25)/t8-,9+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247751
PNG
(US10112931, Example 354 | US9434719, 354 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(OC(F)(F)F)c2)ncc1F
Show InChI InChI=1S/C18H18F4N4O4/c1-9(11-4-3-5-12(6-11)30-18(20,21)22)24-16-23-7-13(19)15(25-16)26-14(10(2)27)8-29-17(26)28/h3-7,9-10,14,27H,8H2,1-2H3,(H,23,24,25)/t9-,10+,14+/m0/s1
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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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247752
PNG
(US10112931, Example 355 | US9434719, 355 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(OC(F)F)c2)ncc1F
Show InChI InChI=1S/C18H19F3N4O4/c1-9(11-4-3-5-12(6-11)29-16(20)21)23-17-22-7-13(19)15(24-17)25-14(10(2)26)8-28-18(25)27/h3-7,9-10,14,16,26H,8H2,1-2H3,(H,22,23,24)/t9-,10+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247753
PNG
(US10112931, Example 356 | US9434719, 356 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Oc3ccccc3)c2)n1
Show InChI InChI=1S/C23H24N4O4/c1-15(17-7-6-10-19(13-17)31-18-8-4-3-5-9-18)25-22-24-12-11-21(26-22)27-20(16(2)28)14-30-23(27)29/h3-13,15-16,20,28H,14H2,1-2H3,(H,24,25,26)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247754
PNG
(US10112931, Example 357 | US9434719, 357 as TFA sa...)
Show SMILES CC(C)Oc1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O
Show InChI InChI=1S/C20H26N4O4/c1-12(2)28-16-7-5-15(6-8-16)13(3)22-19-21-10-9-18(23-19)24-17(14(4)25)11-27-20(24)26/h5-10,12-14,17,25H,11H2,1-4H3,(H,21,22,23)/t13-,14+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247756
PNG
(US10112931, Example 359 | US9434719, 359 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1
Show InChI InChI=1S/C18H18ClF3N4O4/c1-9(11-3-5-12(6-4-11)30-18(20,21)22)23-16-24-14(19)7-15(25-16)26-13(10(2)27)8-29-17(26)28/h3-7,9-10,13,27H,8H2,1-2H3,(H,23,24,25)/t9-,10+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247757
PNG
(US10112931, Example 360 | US9434719, 360 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)ncc1F
Show InChI InChI=1S/C18H18F4N4O4/c1-9(11-3-5-12(6-4-11)30-18(20,21)22)24-16-23-7-13(19)15(25-16)26-14(10(2)27)8-29-17(26)28/h3-7,9-10,14,27H,8H2,1-2H3,(H,23,24,25)/t9-,10+,14+/m0/s1
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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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247758
PNG
(US10112931, Example 361 | US9434719, 361 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2F)n1
Show InChI InChI=1S/C18H17ClF4N4O4/c1-8(11-4-3-10(5-12(11)20)31-18(21,22)23)24-16-25-14(19)6-15(26-16)27-13(9(2)28)7-30-17(27)29/h3-6,8-9,13,28H,7H2,1-2H3,(H,24,25,26)/t8-,9+,13+/m0/s1
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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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247759
PNG
(US10112931, Example 362 | US9434719, 362 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2F)ncc1F
Show InChI InChI=1S/C18H17F5N4O4/c1-8(11-4-3-10(5-12(11)19)31-18(21,22)23)25-16-24-6-13(20)15(26-16)27-14(9(2)28)7-30-17(27)29/h3-6,8-9,14,28H,7H2,1-2H3,(H,24,25,26)/t8-,9+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247760
PNG
(US10112931, Example 363 | US9434719, 363 as TFA sa...)
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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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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247761
PNG
(US10112931, Example 364 | US9434719, 364 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)F)cc2)ncc1F
Show InChI InChI=1S/C18H19F3N4O4/c1-9(11-3-5-12(6-4-11)29-16(20)21)23-17-22-7-13(19)15(24-17)25-14(10(2)26)8-28-18(25)27/h3-7,9-10,14,16,26H,8H2,1-2H3,(H,22,23,24)/t9-,10+,14+/m0/s1
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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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247762
PNG
(US10112931, Example 365 | US9434719, 365 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)(F)F)c(F)c2)ncc1F
Show InChI InChI=1S/C18H17F5N4O4/c1-8(10-3-4-14(11(19)5-10)31-18(21,22)23)25-16-24-6-12(20)15(26-16)27-13(9(2)28)7-30-17(27)29/h3-6,8-9,13,28H,7H2,1-2H3,(H,24,25,26)/t8-,9+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247763
PNG
(US10112931, Example 366 | US9434719, 366 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)F)cc2)n1
Show InChI InChI=1S/C18H19ClF2N4O4/c1-9(11-3-5-12(6-4-11)29-16(20)21)22-17-23-14(19)7-15(24-17)25-13(10(2)26)8-28-18(25)27/h3-7,9-10,13,16,26H,8H2,1-2H3,(H,22,23,24)/t9-,10+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247764
PNG
(US10112931, Example 367 | US9434719, 367 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)(F)F)c(F)c2)n1
Show InChI InChI=1S/C18H17ClF4N4O4/c1-8(10-3-4-13(11(20)5-10)31-18(21,22)23)24-16-25-14(19)6-15(26-16)27-12(9(2)28)7-30-17(27)29/h3-6,8-9,12,28H,7H2,1-2H3,(H,24,25,26)/t8-,9+,12+/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247765
PNG
(US10112931, Example 368 | US9434719, 368 as TFA sa...)
Show SMILES CC(C)CS(=O)(=O)c1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)[C@@H](C)O
Show InChI InChI=1S/C21H27FN4O5S/c1-12(2)11-32(29,30)16-7-5-15(6-8-16)13(3)24-20-23-9-17(22)19(25-20)26-18(14(4)27)10-31-21(26)28/h5-9,12-14,18,27H,10-11H2,1-4H3,(H,23,24,25)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247766
PNG
(US10112931, Example 369 | US9434719, 369 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)S(=O)(=O)C(C)C)ncc1F
Show InChI InChI=1S/C20H25FN4O5S/c1-11(2)31(28,29)15-7-5-14(6-8-15)12(3)23-19-22-9-16(21)18(24-19)25-17(13(4)26)10-30-20(25)27/h5-9,11-13,17,26H,10H2,1-4H3,(H,22,23,24)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247767
PNG
(US10112931, Example 370 | US9434719, 370 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2)S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C20H25ClN4O5S/c1-11(2)31(28,29)15-7-5-14(6-8-15)12(3)22-19-23-17(21)9-18(24-19)25-16(13(4)26)10-30-20(25)27/h5-9,11-13,16,26H,10H2,1-4H3,(H,22,23,24)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247768
PNG
(US10112931, Example 371 | US9434719, 371 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OCC3CC3)cc2)n1
Show InChI InChI=1S/C21H26N4O4/c1-13(16-5-7-17(8-6-16)28-11-15-3-4-15)23-20-22-10-9-19(24-20)25-18(14(2)26)12-29-21(25)27/h5-10,13-15,18,26H,3-4,11-12H2,1-2H3,(H,22,23,24)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247769
PNG
(US10112931, Example 372 | US9434719, 372 as TFA sa...)
Show SMILES CC(C)COc1ccc([C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1
Show InChI InChI=1S/C21H27FN4O4/c1-12(2)10-29-15-5-6-16(17(22)9-15)13(3)24-20-23-8-7-19(25-20)26-18(14(4)27)11-30-21(26)28/h5-9,12-14,18,27H,10-11H2,1-4H3,(H,23,24,25)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247771
PNG
(US10112931, Example 374 | US9434719, 374 | US96886...)
Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(F)c(cc2F)-c2cnn(C)c2)n1
Show InChI InChI=1S/C22H23ClF2N6O3/c1-11(14-5-17(25)15(6-16(14)24)13-8-26-30(3)9-13)27-21-28-19(23)7-20(29-21)31-18(12(2)33-4)10-34-22(31)32/h5-9,11-12,18H,10H2,1-4H3,(H,27,28,29)/t11-,12+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247772
PNG
(US10112931, Example 375 | US9434719, 375 | US96886...)
Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)n1
Show InChI InChI=1S/C19H19ClF4N4O3/c1-9(12-5-4-11(6-13(12)21)19(22,23)24)25-17-26-15(20)7-16(27-17)28-14(10(2)30-3)8-31-18(28)29/h4-7,9-10,14H,8H2,1-3H3,(H,25,26,27)/t9-,10+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247773
PNG
(US10112931, Example 376 | US9434719, 376 as TFA sa...)
Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H21Cl2N5O3S/c1-11(16-9-24-19(32-16)13-4-6-14(22)7-5-13)25-20-26-17(23)8-18(27-20)28-15(12(2)30-3)10-31-21(28)29/h4-9,11-12,15H,10H2,1-3H3,(H,25,26,27)/t11-,12+,15+/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247946
PNG
(US9434719, 380 as TFA salt)
Show SMILES C[C@@H](N)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H21ClN6O2S/c1-11(22)15-10-29-20(28)27(15)17-7-8-23-19(26-17)25-12(2)16-9-24-18(30-16)13-3-5-14(21)6-4-13/h3-9,11-12,15H,10,22H2,1-2H3,(H,23,25,26)/t11-,12+,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247778
PNG
(US10112931, Example 381 | US9434719, 381 as TFA sa...)
Show SMILES C[C@@H](N)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H22ClN7O2/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,10,22H2,1-2H3,(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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247779
PNG
(US10112931, Example 382 | US9434719, 382 as TFA sa...)
Show SMILES C[C@@H](N)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H21ClN6O3/c1-11(22)16-10-29-20(28)27(16)18-7-8-23-19(25-18)24-12(2)15-9-17(30-26-15)13-3-5-14(21)6-4-13/h3-9,11-12,16H,10,22H2,1-2H3,(H,23,24,25)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247947
PNG
(US9434719, 385 as TFA salt)
Show SMILES C[C@@H](F)C1COC(=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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247782
PNG
(US10112931, Example 385 | US9434719, 385 | US96886...)
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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247785
PNG
(US10112931, Example 388 | US9434719, 388 as TFA sa...)
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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247787
PNG
(US10112931, Example 390 | US9434719, 390 as TFA sa...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C20H19ClFN5O3/c1-11(22)16-10-29-20(28)27(16)18-7-8-23-19(25-18)24-12(2)15-9-17(30-26-15)13-3-5-14(21)6-4-13/h3-9,11-12,16H,10H2,1-2H3,(H,23,24,25)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247806
PNG
(US10112931, Example 409 | US9434719, 409 as TFA sa...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1ccc(cc1F)C(F)F
Show InChI InChI=1S/C19H18F6N4O2/c1-8(15(22)23)14-7-31-19(30)29(14)17-13(21)6-26-18(28-17)27-9(2)11-4-3-10(16(24)25)5-12(11)20/h3-6,8-9,14-16H,7H2,1-2H3,(H,26,27,28)/t8-,9+,14-/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247949
PNG
(US9434719, 410 as TFA salt)
Show SMILES CC(Nc1nccc(n1)N1C(COC1=O)[C@@H](C)C(F)F)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClF2N6O3/c1-10(16(22)23)14-9-31-20(30)29(14)15-7-8-24-19(26-15)25-11(2)18-27-17(28-32-18)12-3-5-13(21)6-4-12/h3-8,10-11,14,16H,9H2,1-2H3,(H,24,25,26)/t10-,11?,14?/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247807
PNG
(US10112931, Example 411 | US9434719, 411 as TFA sa...)
Show SMILES CC(Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClF2N6O3/c1-10(16(22)23)14-9-31-20(30)29(14)15-7-8-24-19(26-15)25-11(2)18-27-17(28-32-18)12-3-5-13(21)6-4-12/h3-8,10-11,14,16H,9H2,1-2H3,(H,24,25,26)/t10-,11?,14-/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247808
PNG
(US10112931, Example 412 | US9434719, 412 as TFA sa...)
Show SMILES C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1ccc(cc1F)C(F)F
Show InChI InChI=1S/C19H19F5N4O2/c1-9(16(21)22)14-8-30-19(29)28(14)15-5-6-25-18(27-15)26-10(2)12-4-3-11(17(23)24)7-13(12)20/h3-7,9-10,14,16-17H,8H2,1-2H3,(H,25,26,27)/t9-,10+,14-/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247810
PNG
(US10112931, Example 415 | US9434719, 415 | US96886...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc3ccn(C)c3c2)n1
Show InChI InChI=1S/C22H23N7O4/c1-12(20-26-19(27-33-20)15-5-4-14-7-9-28(3)16(14)10-15)24-21-23-8-6-18(25-21)29-17(13(2)30)11-32-22(29)31/h4-10,12-13,17,30H,11H2,1-3H3,(H,23,24,25)/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247811
PNG
(US10112931, Example 416 | US9434719, 416 | US96886...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(OC(F)(F)F)c2)n1
Show InChI InChI=1S/C20H19F3N6O5/c1-10(17-27-16(28-34-17)12-4-3-5-13(8-12)33-20(21,22)23)25-18-24-7-6-15(26-18)29-14(11(2)30)9-32-19(29)31/h3-8,10-11,14,30H,9H2,1-2H3,(H,24,25,26)/t10?,11-,14-/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247812
PNG
(US10112931, Example 417 | US9434719, 417 | US96886...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc3n(C)c(C)cc23)n1
Show InChI InChI=1S/C23H25N7O4/c1-12-10-16-15(6-5-7-17(16)29(12)4)20-27-21(34-28-20)13(2)25-22-24-9-8-19(26-22)30-18(14(3)31)11-33-23(30)32/h5-10,13-14,18,31H,11H2,1-4H3,(H,24,25,26)/t13?,14-,18-/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247813
PNG
(US10112931, Example 418 | US9434719, 418 | US96886...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(OC(F)(F)F)c2)n1
Show InChI InChI=1S/C20H18ClF3N6O5/c1-9(26-18-25-6-5-15(27-18)30-13(10(2)31)8-33-19(30)32)17-28-16(29-35-17)11-3-4-12(21)14(7-11)34-20(22,23)24/h3-7,9-10,13,31H,8H2,1-2H3,(H,25,26,27)/t9?,10-,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247814
PNG
(US10112931, Example 419 | US9434719, 419 | US96886...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(C)c2)n1
Show InChI InChI=1S/C20H21ClN6O4/c1-10-8-13(4-5-14(10)21)17-25-18(31-26-17)11(2)23-19-22-7-6-16(24-19)27-15(12(3)28)9-30-20(27)29/h4-8,11-12,15,28H,9H2,1-3H3,(H,22,23,24)/t11?,12-,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247815
PNG
(US10112931, Example 420 | US9434719, 420 | US96886...)
Show SMILES COc1cc(ccc1Br)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O
Show InChI InChI=1S/C20H21BrN6O5/c1-10(18-25-17(26-32-18)12-4-5-13(21)15(8-12)30-3)23-19-22-7-6-16(24-19)27-14(11(2)28)9-31-20(27)29/h4-8,10-11,14,28H,9H2,1-3H3,(H,22,23,24)/t10?,11-,14-/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247816
PNG
(US10112931, Example 421 | US9434719, 421 | US96886...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(c2)C(C)(C)C)n1
Show InChI InChI=1S/C23H28N6O4/c1-13(20-27-19(28-33-20)15-7-6-8-16(11-15)23(3,4)5)25-21-24-10-9-18(26-21)29-17(14(2)30)12-32-22(29)31/h6-11,13-14,17,30H,12H2,1-5H3,(H,24,25,26)/t13?,14-,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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247952
PNG
(US9434719, 424)
Show SMILES C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2noc(n2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H19ClN6O4/c1-10(16-24-17(30-25-16)12-3-5-13(20)6-4-12)22-18-21-8-7-15(23-18)26-14(11(2)27)9-29-19(26)28/h3-8,10-11,14,27H,9H2,1-2H3,(H,21,22,23)/t10?,11-,14?/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247818
PNG
(US10112931, Example 425 | US9434719, 425 | US96886...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2noc(n2)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H19ClN6O4/c1-10(16-24-17(30-25-16)12-3-5-13(20)6-4-12)22-18-21-8-7-15(23-18)26-14(11(2)27)9-29-19(26)28/h3-8,10-11,14,27H,9H2,1-2H3,(H,21,22,23)/t10?,11-,14-/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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(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 ...


US Patent US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
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