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Compile Data Set for Download or QSAR

Found 402 hits from AGIOS PHARMACEUTICALS, INC   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132H


(Homo sapiens (Human))
BDBM326509
PNG
(US9662327, Compound 206)
Show SMILES CC[C@@H]1CN(CCN1C(=O)Cc1cccs1)c1nc(C(C)C)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H34N4O2S/c1-6-18-15-29(9-10-30(18)23(31)12-19-8-7-11-33-19)25-21(14-27)20-13-26(4,5)32-16-22(20)24(28-25)17(2)3/h7-8,11,17-18H,6,9-10,12-13,15-16H2,1-5H3/t18-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326510
PNG
(US9662327, Compound 207)
Show SMILES CC[C@@H]1CN(CCN1C(=O)c1ccoc1C)c1nc(C(C)C)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H34N4O3/c1-7-18-14-29(9-10-30(18)25(31)19-8-11-32-17(19)4)24-21(13-27)20-12-26(5,6)33-15-22(20)23(28-24)16(2)3/h8,11,16,18H,7,9-10,12,14-15H2,1-6H3/t18-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326514
PNG
(US9662327, Compound 211)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)Cc1ccccn1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C28H35N5O2/c1-18(2)24-16-32(11-12-33(24)25(34)13-20-7-5-6-10-30-20)27-22(15-29)21-14-28(3,4)35-17-23(21)26(31-27)19-8-9-19/h5-7,10,18-19,24H,8-9,11-14,16-17H2,1-4H3/t24-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326533
PNG
(US9662327, Compound 230)
Show SMILES CC1Cc2c(CO1)c(nc(N1CCN([C@H](C)C1)C(=O)c1ccoc1C)c2C#N)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-14-12-27(7-8-28(14)24(29)18-6-9-30-16(18)3)23-20(11-25)19-10-15(2)31-13-21(19)22(26-23)17-4-5-17/h6,9,14-15,17H,4-5,7-8,10,12-13H2,1-3H3/t14-,15?/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326461
PNG
(US9662327, Compound 158 | US9662327, Compound 231)
Show SMILES CC(C)c1nc(N2CCN([C@H](C)C2)C(=O)Cc2cccs2)c(C#N)c2CC(C)(C)OCc12
Show InChI InChI=1S/C25H32N4O2S/c1-16(2)23-21-15-31-25(4,5)12-19(21)20(13-26)24(27-23)28-8-9-29(17(3)14-28)22(30)11-18-7-6-10-32-18/h6-7,10,16-17H,8-9,11-12,14-15H2,1-5H3/t17-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326538
PNG
(US9662327, Compound 235)
Show SMILES CC[C@@H]1CN(CCN1C(=O)c1ccoc1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H30N4O3/c1-4-18-13-28(8-9-29(18)24(30)17-7-10-31-14-17)23-20(12-26)19-11-25(2,3)32-15-21(19)22(27-23)16-5-6-16/h7,10,14,16,18H,4-6,8-9,11,13,15H2,1-3H3/t18-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326539
PNG
(US9662327, Compound 236)
Show SMILES CC[C@@H]1CN(CCN1C(=O)Cc1cccs1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H32N4O2S/c1-4-18-15-29(9-10-30(18)23(31)12-19-6-5-11-33-19)25-21(14-27)20-13-26(2,3)32-16-22(20)24(28-25)17-7-8-17/h5-6,11,17-18H,4,7-10,12-13,15-16H2,1-3H3/t18-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326540
PNG
(US9662327, Compound 237)
Show SMILES CC[C@@H]1CN(CCN1C(=O)c1ccoc1C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H32N4O3/c1-5-18-14-29(9-10-30(18)25(31)19-8-11-32-16(19)2)24-21(13-27)20-12-26(3,4)33-15-22(20)23(28-24)17-6-7-17/h8,11,17-18H,5-7,9-10,12,14-15H2,1-4H3/t18-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326568
PNG
(US9662327, Compound 265)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)Cc1cccnc1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C28H35N5O2/c1-18(2)24-16-32(10-11-33(24)25(34)12-19-6-5-9-30-15-19)27-22(14-29)21-13-28(3,4)35-17-23(21)26(31-27)20-7-8-20/h5-6,9,15,18,20,24H,7-8,10-13,16-17H2,1-4H3/t24-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326572
PNG
(US9662327, Compound 269)
Show SMILES CSCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C=N
Show InChI InChI=1S/C25H38N4O2S/c1-16(2)21-14-28(9-10-29(21)22(30)8-11-32-5)24-19(13-26)18-12-25(3,4)31-15-20(18)23(27-24)17-6-7-17/h13,16-17,21,26H,6-12,14-15H2,1-5H3/t21-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326573
PNG
(US9662327, Compound 270)
Show SMILES COCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C(C)C)c2COC(C)(C)Cc2c1C=N
Show InChI InChI=1S/C25H40N4O3/c1-16(2)21-14-28(9-10-29(21)22(30)8-11-31-7)24-19(13-26)18-12-25(5,6)32-15-20(18)23(27-24)17(3)4/h13,16-17,21,26H,8-12,14-15H2,1-7H3/t21-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326591
PNG
(US9662327, Compound 288)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)c1ccoc1)c1nc(C2CCC2)c2COC(C)(C)Cc2c1C=N
Show InChI InChI=1S/C27H36N4O3/c1-17(2)23-14-30(9-10-31(23)26(32)19-8-11-33-15-19)25-21(13-28)20-12-27(3,4)34-16-22(20)24(29-25)18-6-5-7-18/h8,11,13,15,17-18,23,28H,5-7,9-10,12,14,16H2,1-4H3/t23-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326592
PNG
(US9662327, Compound 289)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)Cc1cccs1)c1nc(C2CCC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C28H36N4O2S/c1-18(2)24-16-31(10-11-32(24)25(33)13-20-9-6-12-35-20)27-22(15-29)21-14-28(3,4)34-17-23(21)26(30-27)19-7-5-8-19/h6,9,12,18-19,24H,5,7-8,10-11,13-14,16-17H2,1-4H3/t24-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326600
PNG
(US9662327, Compound 297)
Show SMILES CC[C@@H]1CN(CCN1C(=O)CCOC)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C24H34N4O3/c1-5-17-14-27(9-10-28(17)21(29)8-11-30-4)23-19(13-25)18-12-24(2,3)31-15-20(18)22(26-23)16-6-7-16/h16-17H,5-12,14-15H2,1-4H3/t17-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326607
PNG
(US9662327, Compound 304)
Show SMILES CCCc1c(CO)c(nc(N(CC)C[C@H](NC(=O)NCC=C)C(C)C)c1C#N)C1CC1
Show InChI InChI=1S/C24H37N5O2/c1-6-9-18-19(13-25)23(28-22(17-10-11-17)20(18)15-30)29(8-3)14-21(16(4)5)27-24(31)26-12-7-2/h7,16-17,21,30H,2,6,8-12,14-15H2,1,3-5H3,(H2,26,27,31)/t21-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326610
PNG
(US9662327, Compound 307)
Show SMILES COCCOC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C(C)C)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H38N4O4/c1-16(2)21-14-28(8-9-29(21)24(30)32-11-10-31-7)23-19(13-26)18-12-25(5,6)33-15-20(18)22(27-23)17(3)4/h16-17,21H,8-12,14-15H2,1-7H3/t21-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326620
PNG
(US9662327, Compound 317)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)CCl)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C23H31ClN4O2/c1-14(2)19-12-27(7-8-28(19)20(29)10-24)22-17(11-25)16-9-23(3,4)30-13-18(16)21(26-22)15-5-6-15/h14-15,19H,5-10,12-13H2,1-4H3/t19-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326755
PNG
(US9662327, Compound 340)
Show SMILES C[C@@H]1CN(CCN1C(=O)CCl)c1nc(C2CCCCC2)c2COCCc2c1C#N
Show InChI InChI=1S/C22H29ClN4O2/c1-15-13-26(8-9-27(15)20(28)11-23)22-18(12-24)17-7-10-29-14-19(17)21(25-22)16-5-3-2-4-6-16/h15-16H,2-11,13-14H2,1H3/t15-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326759
PNG
(US9662327, Compound 344)
Show SMILES CNC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C23H33N5O2/c1-14(2)19-12-27(8-9-28(19)22(29)25-5)21-17(11-24)16-10-23(3,4)30-13-18(16)20(26-21)15-6-7-15/h14-15,19H,6-10,12-13H2,1-5H3,(H,25,29)/t19-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326760
PNG
(US9662327, Compound 345)
Show SMILES CCOCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C(C)C)c2COC(C)Cc2c1C#N
Show InChI InChI=1S/C24H36N4O3/c1-7-30-14-22(29)28-9-8-27(12-21(28)15(2)3)24-19(11-25)18-10-17(6)31-13-20(18)23(26-24)16(4)5/h15-17,21H,7-10,12-14H2,1-6H3/t17?,21-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326761
PNG
(US9662327, Compound 346)
Show SMILES COC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)Cc2c1C#N
Show InChI InChI=1S/C22H30N4O3/c1-13(2)19-11-25(7-8-26(19)22(27)28-4)21-17(10-23)16-9-14(3)29-12-18(16)20(24-21)15-5-6-15/h13-15,19H,5-9,11-12H2,1-4H3/t14?,19-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326762
PNG
(US9662327, Compound 347)
Show SMILES COCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C24H34N4O3/c1-15(2)20-12-27(8-9-28(20)21(29)14-30-5)23-18(11-25)17-10-24(3,4)31-13-19(17)22(26-23)16-6-7-16/h15-16,20H,6-10,12-14H2,1-5H3/t20-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326769
PNG
(US9662327, Compound 354)
Show SMILES CCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C24H34N4O2/c1-6-21(29)28-10-9-27(13-20(28)15(2)3)23-18(12-25)17-11-24(4,5)30-14-19(17)22(26-23)16-7-8-16/h15-16,20H,6-11,13-14H2,1-5H3/t20-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326781
PNG
(US9662327, Compound 366)
Show SMILES CC(C)Cc1c(CO)c(nc(N2CCN([C@@H](C2)C(C)C)C(=O)CCOc2ccccc2)c1C#N)C1CC1
Show InChI InChI=1S/C30H40N4O3/c1-20(2)16-24-25(17-31)30(32-29(22-10-11-22)26(24)19-35)33-13-14-34(27(18-33)21(3)4)28(36)12-15-37-23-8-6-5-7-9-23/h5-9,20-22,27,35H,10-16,18-19H2,1-4H3/t27-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326791
PNG
(US9662327, Compound 376)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H34N4O2/c1-15(2)21-13-28(9-10-29(21)24(30)17-7-8-17)23-19(12-26)18-11-25(3,4)31-14-20(18)22(27-23)16-5-6-16/h15-17,21H,5-11,13-14H2,1-4H3/t21-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326797
PNG
(US9662327, Compound 382)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)CC1CC1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H36N4O2/c1-16(2)22-14-29(9-10-30(22)23(31)11-17-5-6-17)25-20(13-27)19-12-26(3,4)32-15-21(19)24(28-25)18-7-8-18/h16-18,22H,5-12,14-15H2,1-4H3/t22-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326798
PNG
(US9662327, Compound 383 | US9662327, Compound 437 ...)
Show SMILES CCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H36N4O2/c1-6-7-22(30)29-11-10-28(14-21(29)16(2)3)24-19(13-26)18-12-25(4,5)31-15-20(18)23(27-24)17-8-9-17/h16-17,21H,6-12,14-15H2,1-5H3/t21-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326807
PNG
(US9662327, Compound 392)
Show SMILES CCOC(=O)CCNC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C=N
Show InChI InChI=1S/C27H41N5O4/c1-6-35-23(33)9-10-29-26(34)32-12-11-31(15-22(32)17(2)3)25-20(14-28)19-13-27(4,5)36-16-21(19)24(30-25)18-7-8-18/h14,17-18,22,28H,6-13,15-16H2,1-5H3,(H,29,34)/t22-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326810
PNG
(US9662327, Compound 395)
Show SMILES COCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CCC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H38N4O3/c1-17(2)22-15-29(10-11-30(22)23(31)9-12-32-5)25-20(14-27)19-13-26(3,4)33-16-21(19)24(28-25)18-7-6-8-18/h17-18,22H,6-13,15-16H2,1-5H3/t22-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326816
PNG
(US9662327, Compound 401)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)Cn1cc(C)cn1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C27H36N6O2/c1-17(2)23-14-31(8-9-33(23)24(34)15-32-13-18(3)12-29-32)26-21(11-28)20-10-27(4,5)35-16-22(20)25(30-26)19-6-7-19/h12-13,17,19,23H,6-10,14-16H2,1-5H3/t23-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326824
PNG
(US9662327, Compound 409)
Show SMILES COC(=O)CC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H34N4O4/c1-15(2)20-13-28(8-9-29(20)21(30)10-22(31)32-5)24-18(12-26)17-11-25(3,4)33-14-19(17)23(27-24)16-6-7-16/h15-16,20H,6-11,13-14H2,1-5H3/t20-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326827
PNG
(US9662327, Compound 412 | US9662327, Compound 450)
Show SMILES COC(=O)CCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H36N4O4/c1-16(2)21-14-29(10-11-30(21)22(31)8-9-23(32)33-5)25-19(13-27)18-12-26(3,4)34-15-20(18)24(28-25)17-6-7-17/h16-17,21H,6-12,14-15H2,1-5H3/t21-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326828
PNG
(US9662327, Compound 413)
Show SMILES CCc1nc(N2CCN([C@@H](C2)C(C)C)C(=O)CCOC)c(C#N)c2CC(C)(C)OCc12
Show InChI InChI=1S/C24H36N4O3/c1-7-20-19-15-31-24(4,5)12-17(19)18(13-25)23(26-20)27-9-10-28(21(14-27)16(2)3)22(29)8-11-30-6/h16,21H,7-12,14-15H2,1-6H3/t21-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326837
PNG
(US9662327, Compound 423 | US9662327, Compound 477)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)CC(F)(F)F)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C24H31F3N4O2/c1-14(2)19-12-30(7-8-31(19)20(32)10-24(25,26)27)22-17(11-28)16-9-23(3,4)33-13-18(16)21(29-22)15-5-6-15/h14-15,19H,5-10,12-13H2,1-4H3/t19-/m0/s1
PDB

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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326838
PNG
(US9662327, Compound 424)
Show SMILES COCCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H38N4O3/c1-17(2)22-15-29(10-11-30(22)23(31)7-6-12-32-5)25-20(14-27)19-13-26(3,4)33-16-21(19)24(28-25)18-8-9-18/h17-18,22H,6-13,15-16H2,1-5H3/t22-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326839
PNG
(US9662327, Compound 425)
Show SMILES COCCC(=O)N1CCN(CC1C1CC1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3H3
PDB

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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326840
PNG
(US9662327, Compound 426)
Show SMILES CC1(C)Cc2c(CO1)c(nc(N1CCN(C(C1)C1CC1)C(=O)c1ccoc1)c2C#N)C1CC1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)11-19-20(12-27)24(28-23(17-5-6-17)21(19)15-33-26)29-8-9-30(22(13-29)16-3-4-16)25(31)18-7-10-32-14-18/h7,10,14,16-17,22H,3-6,8-9,11,13,15H2,1-2H3
PDB

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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326842
PNG
(US9662327, Compound 428)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)CCC(C)=O)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H36N4O3/c1-16(2)22-14-29(10-11-30(22)23(32)9-6-17(3)31)25-20(13-27)19-12-26(4,5)33-15-21(19)24(28-25)18-7-8-18/h16,18,22H,6-12,14-15H2,1-5H3/t22-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326843
PNG
(US9662327, Compound 429)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)CCO)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C24H34N4O3/c1-15(2)20-13-27(8-9-28(20)21(30)7-10-29)23-18(12-25)17-11-24(3,4)31-14-19(17)22(26-23)16-5-6-16/h15-16,20,29H,5-11,13-14H2,1-4H3/t20-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326844
PNG
(US9662327, Compound 430)
Show SMILES CC1(C)Cc2c(CO1)c(nc(N1CCN(C(C1)C1CC1)C(=O)CC(F)(F)F)c2C#N)C1CC1
Show InChI InChI=1S/C24H29F3N4O2/c1-23(2)9-16-17(11-28)22(29-21(15-5-6-15)18(16)13-33-23)30-7-8-31(19(12-30)14-3-4-14)20(32)10-24(25,26)27/h14-15,19H,3-10,12-13H2,1-2H3
PDB

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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326847
PNG
(US9662327, Compound 433)
Show SMILES CC(O)CC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H36N4O3/c1-15(2)21-13-28(8-9-29(21)22(31)10-16(3)30)24-19(12-26)18-11-25(4,5)32-14-20(18)23(27-24)17-6-7-17/h15-17,21,30H,6-11,13-14H2,1-5H3/t16?,21-/m0/s1
PDB

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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326848
PNG
(US9662327, Compound 434)
Show SMILES COCCC(=O)N1CCN(C[C@H]1C1CC1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3H3/t21-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326849
PNG
(US9662327, Compound 435)
Show SMILES CC1(C)Cc2c(CO1)c(nc(N1CCN([C@@H](C1)C1CC1)C(=O)CC(F)(F)F)c2C#N)C1CC1
Show InChI InChI=1S/C24H29F3N4O2/c1-23(2)9-16-17(11-28)22(29-21(15-5-6-15)18(16)13-33-23)30-7-8-31(19(12-30)14-3-4-14)20(32)10-24(25,26)27/h14-15,19H,3-10,12-13H2,1-2H3/t19-/m0/s1
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AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326850
PNG
(US9662327, Compound 436)
Show SMILES CCCC(=O)N1CCN(C[C@@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H36N4O2/c1-6-7-22(30)29-11-10-28(14-21(29)16(2)3)24-19(13-26)18-12-25(4,5)31-15-20(18)23(27-24)17-8-9-17/h16-17,21H,6-12,14-15H2,1-5H3/t21-/m1/s1
PDB

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UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326798
PNG
(US9662327, Compound 383 | US9662327, Compound 437 ...)
Show SMILES CCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H36N4O2/c1-6-7-22(30)29-11-10-28(14-21(29)16(2)3)24-19(13-26)18-12-25(4,5)31-15-20(18)23(27-24)17-8-9-17/h16-17,21H,6-12,14-15H2,1-5H3/t21-/m0/s1
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326798
PNG
(US9662327, Compound 383 | US9662327, Compound 437 ...)
Show SMILES CCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H36N4O2/c1-6-7-22(30)29-11-10-28(14-21(29)16(2)3)24-19(13-26)18-12-25(4,5)31-15-20(18)23(27-24)17-8-9-17/h16-17,21H,6-12,14-15H2,1-5H3/t21-/m0/s1
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326854
PNG
(US9662327, Compound 440)
Show SMILES COC(=O)CC(=O)N1CCN(C[C@H]1C1CC1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H32N4O4/c1-25(2)11-17-18(12-26)24(27-23(16-6-7-16)19(17)14-33-25)28-8-9-29(20(13-28)15-4-5-15)21(30)10-22(31)32-3/h15-16,20H,4-11,13-14H2,1-3H3/t20-/m0/s1
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326855
PNG
(US9662327, Compound 441 | US9662327, Compound 444)
Show SMILES COCCC(=O)N1CCN(C[C@H]1C(C)C)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H36N4O3/c1-16(2)21-14-28(9-10-29(21)22(30)8-11-31-5)24-19(13-26)18-12-25(3,4)32-15-20(18)23(27-24)17-6-7-17/h16-17,21H,6-12,14-15H2,1-5H3/t21-/m0/s1
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326856
PNG
(US9662327, Compound 442)
Show SMILES CC(O)CC(=O)N1CCN(C[C@H]1C1CC1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H34N4O3/c1-15(30)10-22(31)29-9-8-28(13-21(29)16-4-5-16)24-19(12-26)18-11-25(2,3)32-14-20(18)23(27-24)17-6-7-17/h15-17,21,30H,4-11,13-14H2,1-3H3/t15?,21-/m0/s1
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM326857
PNG
(US9662327, Compound 443)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)CCCO)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C25H36N4O3/c1-16(2)21-14-28(9-10-29(21)22(31)6-5-11-30)24-19(13-26)18-12-25(3,4)32-15-20(18)23(27-24)17-7-8-17/h16-17,21,30H,5-12,14-15H2,1-4H3/t21-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



AGIOS PHARMACEUTICALS, INC

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)

More data for this
Ligand-Target Pair
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