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Patent code US10696665

Compile Data Set for Download or QSAR
Found 61 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 R132H


(Homo sapiens (Human))
BDBM448752
PNG
((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1
Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/m0/s1
PDB

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



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448752
PNG
((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1
Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/m0/s1
PDB

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



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448754
PNG
(3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...)
Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1
PDB

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



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448754
PNG
(3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...)
Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1
PDB

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



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448752
PNG
((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1
Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/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 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448752
PNG
((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1
Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/m0/s1
PDB

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



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM50503281
PNG
(CHEMBL4586919 | US10696665, Example 25)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C
Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 8.89n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM50503281
PNG
(CHEMBL4586919 | US10696665, Example 25)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C
Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448758
PNG
(4R)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-en...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1
Show InChI InChI=1S/C29H38N6O4/c1-4-27(37)34-15-13-33(14-16-34)24(17-21-5-6-21)23-9-7-22(8-10-23)19(2)31-28-30-12-11-26(32-28)35-25(20(3)36)18-39-29(35)38/h4,7-12,19-21,24-25,36H,1,5-6,13-18H2,2-3H3,(H,30,31,32)/t19-,20+,24?,25+/m0/s1
PDB

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US Patent
n/an/a 12.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM50503281
PNG
(CHEMBL4586919 | US10696665, Example 25)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C
Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448758
PNG
(4R)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-en...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1
Show InChI InChI=1S/C29H38N6O4/c1-4-27(37)34-15-13-33(14-16-34)24(17-21-5-6-21)23-9-7-22(8-10-23)19(2)31-28-30-12-11-26(32-28)35-25(20(3)36)18-39-29(35)38/h4,7-12,19-21,24-25,36H,1,5-6,13-18H2,2-3H3,(H,30,31,32)/t19-,20+,24?,25+/m0/s1
PDB

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US Patent
n/an/a 18.2n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448732
PNG
((S)-3-(2-(((S)-1-(4-((4-Acryloylpiperazin-1-yl)met...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H34N6O3/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)19(4)28-25-27-11-10-23(29-25)32-22(18(2)3)17-35-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t19-,22+/m0/s1
PDB

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n/an/a 19.2n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448754
PNG
(3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...)
Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1
PDB

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n/an/a 21.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448738
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H33FN6O3/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)28-25-29-22(27)14-23(30-25)33-21(17(2)3)16-36-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,21+/m0/s1
PDB

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UniChem
US Patent
n/an/a 22.3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448734
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H32N6O3/c1-4-21-17-34-25(33)31(21)22-10-11-26-24(28-22)27-18(3)20-8-6-19(7-9-20)16-29-12-14-30(15-13-29)23(32)5-2/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21-/m0/s1
PDB

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n/an/a 24.2n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM146427
PNG
(US10696665, Art compound | US8957068, 556)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)=O)cc2)n1
Show InChI InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1
PDB

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PC cid
PC sid
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US Patent
n/an/a 25.2n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448754
PNG
(3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...)
Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1
PDB

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n/an/a 25.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448738
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H33FN6O3/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)28-25-29-22(27)14-23(30-25)33-21(17(2)3)16-36-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,21+/m0/s1
PDB

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n/an/a 27.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448734
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H32N6O3/c1-4-21-17-34-25(33)31(21)22-10-11-26-24(28-22)27-18(3)20-8-6-19(7-9-20)16-29-12-14-30(15-13-29)23(32)5-2/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21-/m0/s1
PDB

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n/an/a 30.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448737
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)ncc1F
Show InChI InChI=1S/C26H33FN6O3/c1-5-23(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)29-25-28-14-21(27)24(30-25)33-22(17(2)3)16-36-26(33)35/h5-9,14,17-18,22H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,22+/m0/s1
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n/an/a 35.3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448751
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H30F2N6O3/c1-4-23(34)32-11-9-31(10-12-32)14-18-5-7-19(8-6-18)17(3)28-24-29-21(27)13-22(30-24)33-20(16(2)26)15-36-25(33)35/h4-8,13,16-17,20H,1,9-12,14-15H2,2-3H3,(H,28,29,30)/t16-,17-,20+/m0/s1
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n/an/a 35.3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448732
PNG
((S)-3-(2-(((S)-1-(4-((4-Acryloylpiperazin-1-yl)met...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H34N6O3/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)19(4)28-25-27-11-10-23(29-25)32-22(18(2)3)17-35-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t19-,22+/m0/s1
PDB

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US Patent
n/an/a 36.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM50503281
PNG
(CHEMBL4586919 | US10696665, Example 25)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C
Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1
PDB

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n/an/a 38.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448737
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)ncc1F
Show InChI InChI=1S/C26H33FN6O3/c1-5-23(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)29-25-28-14-21(27)24(30-25)33-22(17(2)3)16-36-26(33)35/h5-9,14,17-18,22H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,22+/m0/s1
PDB

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US Patent
n/an/a 46.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448751
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H30F2N6O3/c1-4-23(34)32-11-9-31(10-12-32)14-18-5-7-19(8-6-18)17(3)28-24-29-21(27)13-22(30-24)33-20(16(2)26)15-36-25(33)35/h4-8,13,16-17,20H,1,9-12,14-15H2,2-3H3,(H,28,29,30)/t16-,17-,20+/m0/s1
PDB

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n/an/a 50.1n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM146427
PNG
(US10696665, Art compound | US8957068, 556)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)=O)cc2)n1
Show InChI InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1
PDB

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US Patent
n/an/a 51n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448744
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H31FN6O3/c1-4-23(33)31-13-11-30(12-14-31)15-19-5-7-20(8-6-19)18(3)28-24-27-10-9-22(29-24)32-21(17(2)26)16-35-25(32)34/h4-10,17-18,21H,1,11-16H2,2-3H3,(H,27,28,29)/t17-,18+,21-/m1/s1
PDB

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n/an/a 56.8n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM50503272
PNG
(CHEMBL4574029 | US10696665, Example 11)
Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H31FN6O3/c1-5-22(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)27-23-28-20(26)14-21(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1
PDB

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n/an/a 83.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448744
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H31FN6O3/c1-4-23(33)31-13-11-30(12-14-31)15-19-5-7-20(8-6-19)18(3)28-24-27-10-9-22(29-24)32-21(17(2)26)16-35-25(32)34/h4-10,17-18,21H,1,11-16H2,2-3H3,(H,27,28,29)/t17-,18+,21-/m1/s1
PDB

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n/an/a 84.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448746
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CO[C@@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H34N6O4/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)18(2)28-25-27-11-10-23(29-25)32-22(19(3)35-4)17-36-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t18-,19-,22+/m0/s1
PDB

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n/an/a 90.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM50503271
PNG
(CHEMBL4550083 | US10696665, Example 4)
Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H32N6O3/c1-5-22(32)30-14-12-29(13-15-30)16-19-6-8-20(9-7-19)18(2)27-23-26-11-10-21(28-23)31-24(33)34-17-25(31,3)4/h5-11,18H,1,12-17H2,2-4H3,(H,26,27,28)/t18-/m0/s1
PDB

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n/an/a 96.8n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448741
PNG
((S)-3-(2-(1-(4-((4- acryloylpiperazin-1- yl)methyl...)
Show SMILES CC[C@H]1COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H31FN6O3/c1-3-20-17-35-25(34)32(20)22-9-10-27-24(29-22)28-21(15-26)19-7-5-18(6-8-19)16-30-11-13-31(14-12-30)23(33)4-2/h4-10,20-21H,2-3,11-17H2,1H3,(H,27,28,29)/t20-,21?/m0/s1
PDB

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n/an/a 101n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448746
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CO[C@@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H34N6O4/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)18(2)28-25-27-11-10-23(29-25)32-22(19(3)35-4)17-36-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t18-,19-,22+/m0/s1
PDB

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n/an/a 102n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM50503272
PNG
(CHEMBL4574029 | US10696665, Example 11)
Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H31FN6O3/c1-5-22(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)27-23-28-20(26)14-21(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1
PDB

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n/an/a 109n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448747
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H34N6O4/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)18(2)28-25-27-11-10-23(29-25)32-22(19(3)35-4)17-36-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t18-,19+,22+/m0/s1
PDB

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n/an/a 123n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448748
PNG
(3-(2-(((1S)-1-(4-(1-(4- acryloylpiperazin-1- yl)pr...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O
Show InChI InChI=1S/C25H32N6O3/c1-4-21(29-12-14-30(15-13-29)23(32)5-2)20-8-6-19(7-9-20)18(3)27-24-26-11-10-22(28-24)31-16-17-34-25(31)33/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21?/m0/s1
PDB

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n/an/a 125n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM50503271
PNG
(CHEMBL4550083 | US10696665, Example 4)
Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H32N6O3/c1-5-22(32)30-14-12-29(13-15-30)16-19-6-8-20(9-7-19)18(2)27-23-26-11-10-21(28-23)31-24(33)34-17-25(31,3)4/h5-11,18H,1,12-17H2,2-4H3,(H,26,27,28)/t18-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

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


(Homo sapiens (Human))
BDBM448758
PNG
(4R)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-en...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1
Show InChI InChI=1S/C29H38N6O4/c1-4-27(37)34-15-13-33(14-16-34)24(17-21-5-6-21)23-9-7-22(8-10-23)19(2)31-28-30-12-11-26(32-28)35-25(20(3)36)18-39-29(35)38/h4,7-12,19-21,24-25,36H,1,5-6,13-18H2,2-3H3,(H,30,31,32)/t19-,20+,24?,25+/m0/s1
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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US Patent
n/an/a 145n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448739
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C24H29FN6O3/c1-3-22(32)30-12-10-29(11-13-30)15-18-4-6-19(7-5-18)17(2)27-23-26-9-8-21(28-23)31-20(14-25)16-34-24(31)33/h3-9,17,20H,1,10-16H2,2H3,(H,26,27,28)/t17-,20-/m0/s1
PDB

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n/an/a 149n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448741
PNG
((S)-3-(2-(1-(4-((4- acryloylpiperazin-1- yl)methyl...)
Show SMILES CC[C@H]1COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H31FN6O3/c1-3-20-17-35-25(34)32(20)22-9-10-27-24(29-22)28-21(15-26)19-7-5-18(6-8-19)16-30-11-13-31(14-12-30)23(33)4-2/h4-10,20-21H,2-3,11-17H2,1H3,(H,27,28,29)/t20-,21?/m0/s1
PDB

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UniChem
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n/an/a 176n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448742
PNG
(3-(2-((1-(4-((4- acryloylpiperazin-1-yl) methyl)ph...)
Show SMILES CC1(C)COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H31FN6O3/c1-4-22(33)31-13-11-30(12-14-31)16-18-5-7-19(8-6-18)20(15-26)28-23-27-10-9-21(29-23)32-24(34)35-17-25(32,2)3/h4-10,20H,1,11-17H2,2-3H3,(H,27,28,29)
PDB

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n/an/a 187n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448750
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H33FN6O4/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)17(2)28-25-29-22(27)14-23(30-25)33-21(18(3)36-4)16-37-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t17-,18+,21+/m0/s1
PDB

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UniChem
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n/an/a 194n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448750
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H33FN6O4/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)17(2)28-25-29-22(27)14-23(30-25)33-21(18(3)36-4)16-37-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t17-,18+,21+/m0/s1
PDB

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UniChem
US Patent
n/an/a 206n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448735
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C24H30N6O3/c1-4-22(31)29-13-11-28(12-14-29)15-19-5-7-20(8-6-19)18(3)26-23-25-10-9-21(27-23)30-17(2)16-33-24(30)32/h4-10,17-18H,1,11-16H2,2-3H3,(H,25,26,27)/t17-,18-/m0/s1
PDB

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n/an/a 210n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448735
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C24H30N6O3/c1-4-22(31)29-13-11-28(12-14-29)15-19-5-7-20(8-6-19)18(3)26-23-25-10-9-21(27-23)30-17(2)16-33-24(30)32/h4-10,17-18H,1,11-16H2,2-3H3,(H,25,26,27)/t17-,18-/m0/s1
PDB

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n/an/a 246n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448740
PNG
((S)-3-(2-((1-(4-((4- acryloylpiperazin-1- yl)methy...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H31FN6O3/c1-5-21(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)28-23-27-14-20(26)22(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1
PDB

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n/an/a 250n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448742
PNG
(3-(2-((1-(4-((4- acryloylpiperazin-1-yl) methyl)ph...)
Show SMILES CC1(C)COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H31FN6O3/c1-4-22(33)31-13-11-30(12-14-31)16-18-5-7-19(8-6-18)20(15-26)28-23-27-10-9-21(29-23)32-24(34)35-17-25(32,2)3/h4-10,20H,1,11-17H2,2-3H3,(H,27,28,29)
PDB

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n/an/a 261n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM50503273
PNG
(CHEMBL4571722 | US10696665, Example 13)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H32N6O4/c1-4-23(33)30-13-11-29(12-14-30)15-19-5-7-20(8-6-19)17(2)27-24-26-10-9-22(28-24)31-21(18(3)32)16-35-25(31)34/h4-10,17-18,21,32H,1,11-16H2,2-3H3,(H,26,27,28)/t17-,18+,21+/m0/s1
PDB

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UniChem
US Patent
n/an/a 272n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448748
PNG
(3-(2-(((1S)-1-(4-(1-(4- acryloylpiperazin-1- yl)pr...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O
Show InChI InChI=1S/C25H32N6O3/c1-4-21(29-12-14-30(15-13-29)23(32)5-2)20-8-6-19(7-9-20)18(3)27-24-26-11-10-22(28-24)31-16-17-34-25(31)33/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21?/m0/s1
PDB

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n/an/a 273n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448748
PNG
(3-(2-(((1S)-1-(4-(1-(4- acryloylpiperazin-1- yl)pr...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O
Show InChI InChI=1S/C25H32N6O3/c1-4-21(29-12-14-30(15-13-29)23(32)5-2)20-8-6-19(7-9-20)18(3)27-24-26-11-10-22(28-24)31-16-17-34-25(31)33/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21?/m0/s1
PDB

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n/an/a 291n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448747
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H34N6O4/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)18(2)28-25-27-11-10-23(29-25)32-22(19(3)35-4)17-36-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t18-,19+,22+/m0/s1
PDB

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n/an/a 316n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448739
PNG
((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C24H29FN6O3/c1-3-22(32)30-12-10-29(11-13-30)15-18-4-6-19(7-5-18)17(2)27-23-26-9-8-21(28-23)31-20(14-25)16-34-24(31)33/h3-9,17,20H,1,10-16H2,2H3,(H,26,27,28)/t17-,20-/m0/s1
PDB

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n/an/a 323n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM50503273
PNG
(CHEMBL4571722 | US10696665, Example 13)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H32N6O4/c1-4-23(33)30-13-11-29(12-14-30)15-19-5-7-20(8-6-19)17(2)27-24-26-10-9-22(28-24)31-21(18(3)32)16-35-25(31)34/h4-10,17-18,21,32H,1,11-16H2,2-3H3,(H,26,27,28)/t17-,18+,21+/m0/s1
PDB

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n/an/a 428n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM448740
PNG
((S)-3-(2-((1-(4-((4- acryloylpiperazin-1- yl)methy...)
Show SMILES C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H31FN6O3/c1-5-21(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)28-23-27-14-20(26)22(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1
PDB

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n/an/a 495n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM448748
PNG
(3-(2-(((1S)-1-(4-(1-(4- acryloylpiperazin-1- yl)pr...)
Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O
Show InChI InChI=1S/C25H32N6O3/c1-4-21(29-12-14-30(15-13-29)23(32)5-2)20-8-6-19(7-9-20)18(3)27-24-26-11-10-22(28-24)31-16-17-34-25(31)33/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21?/m0/s1
PDB

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n/an/a 586n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...


US Patent US10696665 (2020)

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


(Homo sapiens (Human))
BDBM448732
PNG
((S)-3-(2-(((S)-1-(4-((4-Acryloylpiperazin-1-yl)met...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C26H34N6O3/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)19(4)28-25-27-11-10-23(29-25)32-22(18(2)3)17-35-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t19-,22+/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...


US Patent US10696665 (2020)

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


(Homo sapiens (Human))
BDBM50503272
PNG
(CHEMBL4574029 | US10696665, Example 11)
Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H31FN6O3/c1-5-22(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)27-23-28-20(26)14-21(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...


US Patent US10696665 (2020)

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


(Homo sapiens (Human))
BDBM448737
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)ncc1F
Show InChI InChI=1S/C26H33FN6O3/c1-5-23(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)29-25-28-14-21(27)24(30-25)33-22(17(2)3)16-36-26(33)35/h5-9,14,17-18,22H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,22+/m0/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...


US Patent US10696665 (2020)

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


(Homo sapiens (Human))
BDBM448734
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1
Show InChI InChI=1S/C25H32N6O3/c1-4-21-17-34-25(33)31(21)22-10-11-26-24(28-22)27-18(3)20-8-6-19(7-9-20)16-29-12-14-30(15-13-29)23(32)5-2/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21-/m0/s1
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n/an/a 3.15E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...


US Patent US10696665 (2020)

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


(Homo sapiens (Human))
BDBM50503271
PNG
(CHEMBL4550083 | US10696665, Example 4)
Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C25H32N6O3/c1-5-22(32)30-14-12-29(13-15-30)16-19-6-8-20(9-7-19)18(2)27-23-26-11-10-21(28-23)31-24(33)34-17-25(31,3)4/h5-11,18H,1,12-17H2,2-4H3,(H,26,27,28)/t18-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.76E+3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...


US Patent US10696665 (2020)

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


(Homo sapiens (Human))
BDBM448735
PNG
((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...)
Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C24H30N6O3/c1-4-22(31)29-13-11-28(12-14-29)15-19-5-7-20(8-6-19)18(3)26-23-25-10-9-21(27-23)30-17(2)16-33-24(30)32/h4-10,17-18H,1,11-16H2,2-3H3,(H,25,26,27)/t17-,18-/m0/s1
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antibodypedia
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UniChem
US Patent
n/an/a 1.55E+4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...


US Patent US10696665 (2020)

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