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Patent code US11001596

Compile Data Set for Download or QSAR
Found 70 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132C


(Homo sapiens (Human))
BDBM497343
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 2.49n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497343
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 2.76n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497335
PNG
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 3.71n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497334
PNG
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 4.31n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 4.91n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 5.05n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a<5.08n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a<5.08n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a<5.08n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497334
PNG
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 5.69n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497335
PNG
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 6.27n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 6.38n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497351
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 7.43n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 8.69n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 9.78n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 11.1n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497335
PNG
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 11.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 12.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 13.7n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497351
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1
PDB

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UniChem
US Patent
n/an/a 13.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497351
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1
PDB

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UniChem
US Patent
n/an/a 15.1n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

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UniChem
US Patent
n/an/a 15.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
PDB

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UniChem
US Patent
n/an/a 15.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
PDB

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UniChem
US Patent
n/an/a 15.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497351
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1
PDB

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UniChem
US Patent
n/an/a 16.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
PDB

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UniChem
US Patent
n/an/a 16.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

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UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
PDB

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UniChem
US Patent
n/an/a 18.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

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UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
PDB

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UniChem
US Patent
n/an/a 22.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

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UniChem
US Patent
n/an/a 26.3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
PDB

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UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

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UniChem
US Patent
n/an/a 29.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497334
PNG
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1
PDB

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UniChem
US Patent
n/an/a 32.8n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497335
PNG
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1
PDB

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UniChem
US Patent
n/an/a 36.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
PDB

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UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

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n/an/a 54.3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
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n/an/a 64.8n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
PDB

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n/an/a 81.1n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497334
PNG
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497335
PNG
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497334
PNG
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1
PDB

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n/an/a 113n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
PDB

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n/an/a 134n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
PDB

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n/an/a 162n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
PDB

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n/an/a 239n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
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n/an/a 425n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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n/an/a 493n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
IDH2(R140Q)


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
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n/an/a 746n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497334
PNG
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1
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n/an/a 801n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497335
PNG
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1
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n/an/a 884n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497348
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497353
PNG
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
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n/an/a 3.37E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497337
PNG
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)
Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
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n/an/a 7.03E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM497355
PNG
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...


US Patent US11001596 (2021)

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