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Patent code US10040791

Compile Data Set for Download or QSAR

Found 334 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132H


(Homo sapiens (human))
BDBM278561
PNG
( (2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(propan-2-yl...)
Show SMILES CC(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H18Cl2N2O4/c1-13(2)23-21(22(27-32-23)20-16(25)6-4-7-17(20)26)24(31)28-12-11-15-14(9-10-19(29)30)5-3-8-18(15)28/h3-13H,1-2H3,(H,29,30)/b10-9+
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n/an/a 6n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278614
PNG
((2E)-3-(1-{[3-(2,6- Dichlorophenyl)-5-(3- methoxyo...)
Show SMILES COC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H18Cl2N2O6/c1-33-25(12-34-13-25)23-21(22(28-35-23)20-16(26)5-3-6-17(20)27)24(32)29-11-10-15-14(8-9-19(30)31)4-2-7-18(15)29/h2-11H,12-13H2,1H3,(H,30,31)/b9-8+
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n/an/a 6n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278633
PNG
(TtBbDd | US10040791, Example 95)
Show SMILES OC(=O)\C=C\c1cccc2n(ccc12)C(=O)c1c(onc1-c1c(Cl)cc(Cl)cc1Cl)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C27H18Cl3N3O5/c1-2-21(34)32-12-15(13-32)26-24(25(31-38-26)23-18(29)10-16(28)11-19(23)30)27(37)33-9-8-17-14(6-7-22(35)36)4-3-5-20(17)33/h2-11,15H,1,12-13H2,(H,35,36)/b7-6+
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n/an/a 6n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278628
PNG
((2E)-3-(1-{[5-(1-Aminocyclobutyl)-3-(2,4,6-trichlo...)
Show SMILES Cc1cn(C(=O)c2c(noc2C2(N)CCC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H20Cl3N3O4/c1-13-12-32(18-5-2-4-14(20(13)18)6-7-19(33)34)25(35)22-23(21-16(28)10-15(27)11-17(21)29)31-36-24(22)26(30)8-3-9-26/h2,4-7,10-12H,3,8-9,30H2,1H3,(H,33,34)/b7-6+
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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278540
PNG
( (2E)-3-(3-Methyl-1-{[5-(3-methyloxetan-3-yl)-3-(2...)
Show SMILES Cc1cn(C(=O)c2c(noc2C2(C)COC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H19Cl3N2O5/c1-13-10-31(18-5-3-4-14(20(13)18)6-7-19(32)33)25(34)22-23(21-16(28)8-15(27)9-17(21)29)30-36-24(22)26(2)11-35-12-26/h3-10H,11-12H2,1-2H3,(H,32,33)/b7-6+
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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278569
PNG
( (2E)-3-(1-{[5-(2-Methoxypropan-2-yl)-3-(2,4,6-tri...)
Show SMILES COC(C)(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C25H19Cl3N2O5/c1-25(2,34-3)23-21(22(29-35-23)20-16(27)11-14(26)12-17(20)28)24(33)30-10-9-15-13(7-8-19(31)32)5-4-6-18(15)30/h4-12H,1-3H3,(H,31,32)/b8-7+
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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278541
PNG
( (2E)-3-(1-{[5-(3-Methoxyoxetan-3-yl)-3-(2,4,6-tri...)
Show SMILES COC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C25H17Cl3N2O6/c1-34-25(11-35-12-25)23-21(22(29-36-23)20-16(27)9-14(26)10-17(20)28)24(33)30-8-7-15-13(5-6-19(31)32)3-2-4-18(15)30/h2-10H,11-12H2,1H3,(H,31,32)/b6-5+
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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278566
PNG
( (2E)-3-(1-{[3-(2,6-Dichloro-3-fluorophenyl)-5-(pr...)
Show SMILES CC(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C24H17Cl2FN2O4/c1-12(2)23-20(22(28-33-23)19-15(25)7-8-16(27)21(19)26)24(32)29-11-10-14-13(6-9-18(30)31)4-3-5-17(14)29/h3-12H,1-2H3,(H,30,31)/b9-6+
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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278542
PNG
( (2E)-3-(1-{[5-(3-Methoxyoxetan-3-yl)-3-(2,4,6-tri...)
Show SMILES COC1(COC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C26H19Cl3N2O6/c1-13-10-31(18-5-3-4-14(20(13)18)6-7-19(32)33)25(34)22-23(21-16(28)8-15(27)9-17(21)29)30-37-24(22)26(35-2)11-36-12-26/h3-10H,11-12H2,1-2H3,(H,32,33)/b7-6+
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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278624
PNG
((2E)-[1-({5-[1- (Methylamino)cyclopropyl]-3- (2,4,...)
Show SMILES CNC1(CC1)c1onc(c1C(=O)n1cc2CC\C(=C/C(O)=O)c3cccc1c23)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C27H20Cl3N3O4/c1-31-27(7-8-27)25-23(24(32-37-25)22-17(29)10-15(28)11-18(22)30)26(36)33-12-14-6-5-13(9-20(34)35)16-3-2-4-19(33)21(14)16/h2-4,9-12,31H,5-8H2,1H3,(H,34,35)/b13-9+
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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278615
PNG
((2E)-3-(1-{[3-(2,6- Dichlorophenyl)-5-(2- methylox...)
Show SMILES CC1(CCO1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H18Cl2N2O5/c1-25(11-13-33-25)23-21(22(28-34-23)20-16(26)5-3-6-17(20)27)24(32)29-12-10-15-14(8-9-19(30)31)4-2-7-18(15)29/h2-10,12H,11,13H2,1H3,(H,30,31)/b9-8+
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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278546
PNG
( (2E)-[1-{[5-(3-Methyloxetan-3-yl)-3-(2,4,6-trichl...)
Show SMILES CC1(COC1)c1onc(c1C(=O)n1cc2CC\C(=C/C(O)=O)c3cccc1c23)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3N2O5/c1-27(11-36-12-27)25-23(24(31-37-25)22-17(29)8-15(28)9-18(22)30)26(35)32-10-14-6-5-13(7-20(33)34)16-3-2-4-19(32)21(14)16/h2-4,7-10H,5-6,11-12H2,1H3,(H,33,34)/b13-7+
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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278587
PNG
((2E)-3-(1-{[3-(2,6-Dichloro-4- fluorophenyl)-5-(2-...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(F)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C25H18Cl2F2N2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(26)9-14(28)10-16(20)27/h4-11H,1-3H3,(H,32,33)/b8-7+
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n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278630
PNG
(TtBbDd | US10040791, Example 92)
Show SMILES CN(C)C1(CC1)c1onc(c1C(=O)n1cc2CC\C(=C/C(O)=O)c3cccc1c23)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C28H22Cl3N3O4/c1-33(2)28(8-9-28)26-24(25(32-38-26)23-18(30)11-16(29)12-19(23)31)27(37)34-13-15-7-6-14(10-21(35)36)17-4-3-5-20(34)22(15)17/h3-5,10-13H,6-9H2,1-2H3,(H,35,36)/b14-10+
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278595
PNG
((2E)-3-(1-{[5-(1- Methoxycyclopropyl)-3-(2,4,6- tr...)
Show SMILES COC1(CC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C26H19Cl3N2O5/c1-13-12-31(18-5-3-4-14(20(13)18)6-7-19(32)33)25(34)22-23(21-16(28)10-15(27)11-17(21)29)30-36-24(22)26(35-2)8-9-26/h3-7,10-12H,8-9H2,1-2H3,(H,32,33)/b7-6+
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278671
PNG
((2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(dimethylamin...)
Show SMILES CN(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H17Cl2N3O4/c1-27(2)23-20(21(26-32-23)19-15(24)6-4-7-16(19)25)22(31)28-12-11-14-13(9-10-18(29)30)5-3-8-17(14)28/h3-12H,1-2H3,(H,29,30)/b10-9+
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278539
PNG
((2E)-3-(1-{[5-(3-Methyloxetan-3-yl)-3-(2,4,6-trich...)
Show SMILES CC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C25H17Cl3N2O5/c1-25(11-34-12-25)23-21(22(29-35-23)20-16(27)9-14(26)10-17(20)28)24(33)30-8-7-15-13(5-6-19(31)32)3-2-4-18(15)30/h2-10H,11-12H2,1H3,(H,31,32)/b6-5+
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278703
PNG
( (2E)-3-(1-Methyl-3-{[5-(1-methylcyclopropyl)-3-(2...)
Show SMILES Cn1cc(C(=O)c2c(noc2C2(C)CC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H19Cl3N2O4/c1-26(8-9-26)25-21(22(30-35-25)20-17(28)10-14(27)11-18(20)29)24(34)16-12-31(2)23-13(6-7-19(32)33)4-3-5-15(16)23/h3-7,10-12H,8-9H2,1-2H3,(H,32,33)/b7-6+
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278697
PNG
( (2E)-3-[1-({5-[(5R)7-Acryloyl-5-methyl-4,7-diazas...)
Show SMILES C[C@@H]1CN(CC2(CC2)N1c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl)C(=O)C=C
Show InChI InChI=1S/C31H26Cl2N4O5/c1-3-24(38)35-16-18(2)37(31(17-35)13-14-31)30-27(28(34-42-30)26-21(32)7-5-8-22(26)33)29(41)36-15-12-20-19(10-11-25(39)40)6-4-9-23(20)36/h3-12,15,18H,1,13-14,16-17H2,2H3,(H,39,40)/b11-10+/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278588
PNG
((2E)-3-(7-Fluoro-1-{[5-(2- fluoropropan-2-yl)-3-(2...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2c(F)ccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C25H17Cl3F2N2O4/c1-11-10-32(22-16(29)6-4-12(18(11)22)5-7-17(33)34)24(35)20-21(31-36-23(20)25(2,3)30)19-14(27)8-13(26)9-15(19)28/h4-10H,1-3H3,(H,33,34)/b7-5+
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UniChem
n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278621
PNG
((2E)-3-(3-Methyl-1-{[5-[1-(methylamino)cyclobutyl]...)
Show SMILES CNC1(CCC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C27H22Cl3N3O4/c1-14-13-33(19-6-3-5-15(21(14)19)7-8-20(34)35)26(36)23-24(22-17(29)11-16(28)12-18(22)30)32-37-25(23)27(31-2)9-4-10-27/h3,5-8,11-13,31H,4,9-10H2,1-2H3,(H,34,35)/b8-7+
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278702
PNG
((2E)-3-(3-[5-tert-Butyl-3-(2,4,6-trichlorophenyl)-...)
Show SMILES Cn1cc(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H21Cl3N2O4/c1-26(2,3)25-21(22(30-35-25)20-17(28)10-14(27)11-18(20)29)24(34)16-12-31(4)23-13(8-9-19(32)33)6-5-7-15(16)23/h5-12H,1-4H3,(H,32,33)/b9-8+
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278543
PNG
( (2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(3-ethyloxet...)
Show SMILES CCC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H20Cl2N2O5/c1-2-26(13-34-14-26)24-22(23(29-35-24)21-17(27)6-4-7-18(21)28)25(33)30-12-11-16-15(9-10-20(31)32)5-3-8-19(16)30/h3-12H,2,13-14H2,1H3,(H,31,32)/b10-9+
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278613
PNG
((2E)-3-(1-{[3-(2,6- Dichlorophenyl)-5-(3- methylox...)
Show SMILES CC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H18Cl2N2O5/c1-25(12-33-13-25)23-21(22(28-34-23)20-16(26)5-3-6-17(20)27)24(32)29-11-10-15-14(8-9-19(30)31)4-2-7-18(15)29/h2-11H,12-13H2,1H3,(H,30,31)/b9-8+
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278545
PNG
( (2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(2-hydroxypr...)
Show SMILES CC(C)(O)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H18Cl2N2O5/c1-24(2,32)22-20(21(27-33-22)19-15(25)6-4-7-16(19)26)23(31)28-12-11-14-13(9-10-18(29)30)5-3-8-17(14)28/h3-12,32H,1-2H3,(H,29,30)/b10-9+
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278565
PNG
( (2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(2-methoxypr...)
Show SMILES COC(C)(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33-3)23-21(22(28-34-23)20-16(26)7-5-8-17(20)27)24(32)29-13-12-15-14(10-11-19(30)31)6-4-9-18(15)29/h4-13H,1-3H3,(H,30,31)/b11-10+
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278553
PNG
( (2E)-[1-{[3-(2,4-Dichloro-6-fluorophenyl)-5-(1-me...)
Show SMILES COC1(CCC1)c1onc(c1C(=O)n1cc2CC\C(=C/C(O)=O)c3cccc1c23)-c1c(F)cc(Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl2FN2O5/c1-37-28(8-3-9-28)26-24(25(32-38-26)23-18(30)11-16(29)12-19(23)31)27(36)33-13-15-7-6-14(10-21(34)35)17-4-2-5-20(33)22(15)17/h2,4-5,10-13H,3,6-9H2,1H3,(H,34,35)/b14-10+
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n/an/a 12n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278577
PNG
( (2E)-3-(1-{[3-(2-Bromo-6-chlorophenyl)-5-(tert-bu...)
Show SMILES CC(C)(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Br
Show InChI InChI=1S/C25H20BrClN2O4/c1-25(2,3)23-21(22(28-33-23)20-16(26)7-5-8-17(20)27)24(32)29-13-12-15-14(10-11-19(30)31)6-4-9-18(15)29/h4-13H,1-3H3,(H,30,31)/b11-10+
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n/an/a 12n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278568
PNG
( (2E)-3-(1-{[3-(2,6-Dichloro-3-fluorophenyl)-5-(pr...)
Show SMILES CC(C)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C25H19Cl2FN2O4/c1-12(2)24-21(23(29-34-24)20-15(26)8-9-16(28)22(20)27)25(33)30-11-13(3)19-14(7-10-18(31)32)5-4-6-17(19)30/h4-12H,1-3H3,(H,31,32)/b10-7+
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n/an/a 12n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278676
PNG
( (2E)-3-(1-{[5-(Dimethylamino)-3-(2,4,6-trichlorop...)
Show SMILES CN(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H16Cl3N3O4/c1-28(2)23-20(21(27-33-23)19-15(25)10-13(24)11-16(19)26)22(32)29-9-8-14-12(6-7-18(30)31)4-3-5-17(14)29/h3-11H,1-2H3,(H,30,31)/b7-6+
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n/an/a 12n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278559
PNG
((2E)-3-(1-{[5-(2-Fluoropropan-2-yl)-3-(2,4,6-trich...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
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n/an/a 12n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278631
PNG
((2E)-3-(1-{[5-(1-Cyanocyclobutyl)-3-(2,4,6-trichlo...)
Show SMILES Cc1cn(C(=O)c2c(noc2C2(CCC2)C#N)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C27H18Cl3N3O4/c1-14-12-33(19-5-2-4-15(21(14)19)6-7-20(34)35)26(36)23-24(22-17(29)10-16(28)11-18(22)30)32-37-25(23)27(13-31)8-3-9-27/h2,4-7,10-12H,3,8-9H2,1H3,(H,34,35)/b7-6+
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n/an/a 12n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278549
PNG
( (2E)-3-(1-{[3-(3,5-Dichloropyridin-2-yl)-5-(2-flu...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cncc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C24H18Cl2FN3O4/c1-12-11-30(16-6-4-5-13(18(12)16)7-8-17(31)32)23(33)20-21(29-34-22(20)24(2,3)27)19-14(25)9-28-10-15(19)26/h4-11H,1-3H3,(H,31,32)/b8-7+
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278575
PNG
( (2E)-3-(1-{[5-(1-Methylcyclopropyl)-3-(2,4,6-tric...)
Show SMILES CC1(CC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C25H17Cl3N2O4/c1-25(8-9-25)23-21(22(29-34-23)20-16(27)11-14(26)12-17(20)28)24(33)30-10-7-15-13(5-6-19(31)32)3-2-4-18(15)30/h2-7,10-12H,8-9H2,1H3,(H,31,32)/b6-5+
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278583
PNG
( (2E)-3-(3-Fluoro-1-{[5-(2-fluoropropan-2-yl)-3-(2...)
Show SMILES CC(C)(F)c1onc(c1C(=O)n1cc(F)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C24H15Cl3F2N2O4/c1-24(2,29)22-20(21(30-35-22)19-13(26)8-12(25)9-14(19)27)23(34)31-10-15(28)18-11(6-7-17(32)33)4-3-5-16(18)31/h3-10H,1-2H3,(H,32,33)/b7-6+
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278574
PNG
( (2E)-3-(1-{[5-(2-Fluoropropan-2-yl)-3-(2,4,6-tric...)
Show SMILES CC(C)(F)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C24H16Cl3FN2O4/c1-24(2,28)22-20(21(29-34-22)19-15(26)10-13(25)11-16(19)27)23(33)30-9-8-14-12(6-7-18(31)32)4-3-5-17(14)30/h3-11H,1-2H3,(H,31,32)/b7-6+
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278620
PNG
((2E)-3-(1-{[5-[1- (Dimethylamino)cyclopropyl]- 3-(...)
Show SMILES CN(C)C1(CC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C27H22Cl3N3O4/c1-14-13-33(19-6-4-5-15(21(14)19)7-8-20(34)35)26(36)23-24(22-17(29)11-16(28)12-18(22)30)31-37-25(23)27(9-10-27)32(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,34,35)/b8-7+
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278585
PNG
((2E)-3-(1-{[3-(2,4-Dichloro-6- fluorophenyl)-5-(2-...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(F)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C25H18Cl2F2N2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
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n/an/a 13n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278552
PNG
( (2E)-3-(1-{[3-(2,4-Dichloro-6-fluorophenyl)-5-(1-...)
Show SMILES COC1(CCC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(F)cc(Cl)cc1Cl
Show InChI InChI=1S/C27H21Cl2FN2O5/c1-14-13-32(19-6-3-5-15(21(14)19)7-8-20(33)34)26(35)23-24(22-17(29)11-16(28)12-18(22)30)31-37-25(23)27(36-2)9-4-10-27/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,33,34)/b8-7+
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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278567
PNG
( (2E)-3-(1-{[5-(Propan-2-yl)-3-(2,4,6-trichlorophe...)
Show SMILES CC(C)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C25H19Cl3N2O4/c1-12(2)24-22(23(29-34-24)21-16(27)9-15(26)10-17(21)28)25(33)30-11-13(3)20-14(7-8-19(31)32)5-4-6-18(20)30/h4-12H,1-3H3,(H,31,32)/b8-7+
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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278604
PNG
((2E)-3-(3-Chloro-1-{[5-(2- fluoropropan-2-yl)-3-(2...)
Show SMILES CC(C)(F)c1onc(c1C(=O)n1cc(Cl)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C24H15Cl4FN2O4/c1-24(2,29)22-20(21(30-35-22)19-13(26)8-12(25)9-14(19)27)23(34)31-10-15(28)18-11(6-7-17(32)33)4-3-5-16(18)31/h3-10H,1-2H3,(H,32,33)/b7-6+
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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278673
PNG
( (2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(pyrrolidin-...)
Show SMILES OC(=O)\C=C\c1cccc2n(ccc12)C(=O)c1c(onc1-c1c(Cl)cccc1Cl)N1CCCC1
Show InChI InChI=1S/C25H19Cl2N3O4/c26-17-6-4-7-18(27)21(17)23-22(25(34-28-23)29-12-1-2-13-29)24(33)30-14-11-16-15(9-10-20(31)32)5-3-8-19(16)30/h3-11,14H,1-2,12-13H2,(H,31,32)/b10-9+
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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278593
PNG
((2E)-3-(1-{[3-(4-Chloro-2,6- dimethylphenyl)-5-(2-...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(C)cc(Cl)cc2C)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C27H24ClFN2O4/c1-14-11-18(28)12-15(2)21(14)24-23(25(35-30-24)27(4,5)29)26(34)31-13-16(3)22-17(9-10-20(32)33)7-6-8-19(22)31/h6-13H,1-5H3,(H,32,33)/b10-9+
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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278623
PNG
((2E)-[1-({5-[2- (Methylamino)propan-2-yl]-3- (2,4,...)
Show SMILES CNC(C)(C)c1onc(c1C(=O)n1cc2CC\C(=C/C(O)=O)c3cccc1c23)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C27H22Cl3N3O4/c1-27(2,31-3)25-23(24(32-37-25)22-17(29)10-15(28)11-18(22)30)26(36)33-12-14-8-7-13(9-20(34)35)16-5-4-6-19(33)21(14)16/h4-6,9-12,31H,7-8H2,1-3H3,(H,34,35)/b13-9+
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n/an/a 14n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278589
PNG
((2E)-3-(1-{[5-(1,1- Difluoroethyl)-3-(2,4,6- trich...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
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n/an/a 15n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278597
PNG
((2E)-3-(1-{[3-(2,4-Dichloro-6- methylphenyl)-5-(2-...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(C)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H21Cl2FN2O4/c1-13-10-16(27)11-17(28)21(13)23-22(24(35-30-23)26(3,4)29)25(34)31-12-14(2)20-15(8-9-19(32)33)6-5-7-18(20)31/h5-12H,1-4H3,(H,32,33)/b9-8+
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n/an/a 15n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278594
PNG
((2E)-3-(1-{[3-(2,6-Dichloro-4- methylphenyl)-5-(2-...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(C)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H21Cl2FN2O4/c1-13-10-16(27)21(17(28)11-13)23-22(24(35-30-23)26(3,4)29)25(34)31-12-14(2)20-15(8-9-19(32)33)6-5-7-18(20)31/h5-12H,1-4H3,(H,32,33)/b9-8+
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n/an/a 15n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278554
PNG
( (2E)-[1-{[3-(2,4-Dichloro-6-fluorophenyl)-5-(2-fl...)
Show SMILES CC(C)(F)c1onc(c1C(=O)n1cc2CC\C(=C/C(O)=O)c3cccc1c23)-c1c(F)cc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl2F2N2O4/c1-26(2,30)24-22(23(31-36-24)21-16(28)9-14(27)10-17(21)29)25(35)32-11-13-7-6-12(8-19(33)34)15-4-3-5-18(32)20(13)15/h3-5,8-11H,6-7H2,1-2H3,(H,33,34)/b12-8+
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n/an/a 15n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278622
PNG
((2E)-3-[3-Methyl-1-({5-[2- (methylamino)propan-2-y...)
Show SMILES CNC(C)(C)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl3N3O4/c1-13-12-32(18-7-5-6-14(20(13)18)8-9-19(33)34)25(35)22-23(31-36-24(22)26(2,3)30-4)21-16(28)10-15(27)11-17(21)29/h5-12,30H,1-4H3,(H,33,34)/b9-8+
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n/an/a 15n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM278606
PNG
((2E)-3-(1-{[3-(4-Bromo-2,6- dichlorophenyl)-5-(2- ...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Br)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C25H18BrCl2FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
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n/an/a 15n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

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