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Patent code US10202339

Compile Data Set for Download or QSAR

Found 353 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))
BDBM339441
PNG
(US10202339, Compound 218)
Show SMILES Cc1ccc(NC(=O)Nc2ccccc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClFN3O3S/c1-13-6-9-16(23-20(26)24-18-5-3-2-4-17(18)22)12-19(13)29(27,28)25-15-10-7-14(21)8-11-15/h2-12,25H,1H3,(H2,23,24,26)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339445
PNG
(US10202339, Compound 222)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClF3N3O3S/c1-13-2-7-18(12-19(13)32(30,31)28-17-10-5-15(22)6-11-17)27-20(29)26-16-8-3-14(4-9-16)21(23,24)25/h2-12,28H,1H3,(H2,26,27,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339458
PNG
(US10202339, Compound 236)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19Cl2N3O3S/c1-13-3-7-18(24-21(27)25-19-10-6-16(23)11-14(19)2)12-20(13)30(28,29)26-17-8-4-15(22)5-9-17/h3-12,26H,1-2H3,(H2,24,25,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339463
PNG
(US10202339, Compound 241)
Show SMILES Cc1ccc(F)cc1NC(=O)Nc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClFN3O3S/c1-13-3-7-16(23)11-19(13)25-21(27)24-18-8-4-14(2)20(12-18)30(28,29)26-17-9-5-15(22)6-10-17/h3-12,26H,1-2H3,(H2,24,25,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339468
PNG
(US10202339, Compound 246)
Show SMILES Cc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H15Cl4N3O3S/c1-11-2-5-14(25-20(28)26-18-10-16(23)15(22)9-17(18)24)8-19(11)31(29,30)27-13-6-3-12(21)4-7-13/h2-10,27H,1H3,(H2,25,26,28)
PDB

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PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339469
PNG
(US10202339, Compound 247)
Show SMILES Cc1ccc(NC(=O)Nc2c(Cl)cc(F)cc2Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H15BrCl2FN3O3S/c1-11-2-5-15(25-20(28)26-19-16(21)8-13(24)9-17(19)23)10-18(11)31(29,30)27-14-6-3-12(22)4-7-14/h2-10,27H,1H3,(H2,25,26,28)
PDB

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PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339471
PNG
(US10202339, Compound 249)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H20ClN3O3S/c1-14-4-3-5-18(12-14)23-21(26)24-19-9-6-15(2)20(13-19)29(27,28)25-17-10-7-16(22)8-11-17/h3-13,25H,1-2H3,(H2,23,24,26)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339473
PNG
(US10202339, Compound 251)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H22ClN3O3S/c1-3-16-5-4-6-19(13-16)24-22(27)25-20-10-7-15(2)21(14-20)30(28,29)26-18-11-8-17(23)9-12-18/h4-14,26H,3H2,1-2H3,(H2,24,25,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339478
PNG
(US10202339, Compound 256)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O3S/c1-16-5-10-21(15-22(16)32(30,31)28-20-13-8-18(25)9-14-20)27-23(29)26-19-11-6-17(7-12-19)24(2,3)4/h5-15,28H,1-4H3,(H2,26,27,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339494
PNG
(US10202339, Compound 272)
Show SMILES COc1cc(ccc1NC(=O)Nc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19ClN4O6S/c1-13-3-6-16(11-20(13)33(30,31)25-15-7-4-14(22)5-8-15)23-21(27)24-18-10-9-17(26(28)29)12-19(18)32-2/h3-12,25H,1-2H3,(H2,23,24,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339497
PNG
(US10202339, Compound 275)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4O5S/c1-13-5-8-17(23-20(26)22-16-3-2-4-18(11-16)25(27)28)12-19(13)31(29,30)24-15-9-6-14(21)7-10-15/h2-12,24H,1H3,(H2,22,23,26)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339504
PNG
(US10202339, Compound 283)
Show SMILES Cc1ccc(CNC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H22ClN3O3S/c1-15-3-6-17(7-4-15)14-24-22(27)25-20-10-5-16(2)21(13-20)30(28,29)26-19-11-8-18(23)9-12-19/h3-13,26H,14H2,1-2H3,(H2,24,25,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339508
PNG
(US10202339, Compound 287)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClN3O3S/c1-16-6-10-22(15-23(16)32(30,31)28-20-12-8-19(25)9-13-20)27-24(29)26-21-11-7-17-4-2-3-5-18(17)14-21/h2-15,28H,1H3,(H2,26,27,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339527
PNG
(US10202339, Compound 308)
Show SMILES CCOC(=O)COc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C25H24F3N3O6S/c1-3-36-23(32)15-37-21-11-9-18(10-12-21)31-38(34,35)22-14-20(8-7-16(22)2)30-24(33)29-19-6-4-5-17(13-19)25(26,27)28/h4-14,31H,3,15H2,1-2H3,(H2,29,30,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339523
PNG
(US10202339, Compound 303 | US10202339, Compound 32...)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1S(=O)(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C21H18F3N3O4S/c1-13-8-9-16(12-19(13)32(30,31)27-17-6-3-7-18(28)11-17)26-20(29)25-15-5-2-4-14(10-15)21(22,23)24/h2-12,27-28H,1H3,(H2,25,26,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339549
PNG
(US10202339, Compound 330)
Show SMILES CCOC(=O)CNc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccc(cc3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C25H25F3N4O5S/c1-3-37-23(33)15-29-18-10-12-20(13-11-18)32-38(35,36)22-14-21(7-4-16(22)2)31-24(34)30-19-8-5-17(6-9-19)25(26,27)28/h4-14,29,32H,3,15H2,1-2H3,(H2,30,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339551
PNG
(US10202339, Compound 332)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1S(=O)(=O)Nc1cccc(CCc2ccccc2)c1
Show InChI InChI=1S/C29H26F3N3O3S/c1-20-10-15-25(34-28(36)33-24-16-13-23(14-17-24)29(30,31)32)19-27(20)39(37,38)35-26-9-5-8-22(18-26)12-11-21-6-3-2-4-7-21/h2-10,13-19,35H,11-12H2,1H3,(H2,33,34,36)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339557
PNG
(US10202339, Compound 1)
Show SMILES O=C(Nc1ccccc1)Nc1cc(ccc1-c1ccsc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H19N3O3S2/c27-23(24-18-7-3-1-4-8-18)25-22-15-20(11-12-21(22)17-13-14-30-16-17)31(28,29)26-19-9-5-2-6-10-19/h1-16,26H,(H2,24,25,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339574
PNG
(US10202339, Compound 18)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C23H18FN3O3S2/c24-17-6-8-18(9-7-17)25-23(28)26-22-14-20(10-11-21(22)16-12-13-31-15-16)32(29,30)27-19-4-2-1-3-5-19/h1-15,27H,(H2,25,26,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339585
PNG
(US10202339, Compound 29)
Show SMILES Cc1cncc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1
Show InChI InChI=1S/C20H20N4O3S2/c1-13-8-16(11-21-10-13)22-20(25)23-19-9-17(29(26,27)24-15-2-3-15)4-5-18(19)14-6-7-28-12-14/h4-12,15,24H,2-3H2,1H3,(H2,22,23,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339587
PNG
(US10202339, Compound 31)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2(CC2)C#N)c1
Show InChI InChI=1S/C22H17F3N4O3S2/c23-22(24,25)15-2-1-3-16(10-15)27-20(30)28-19-11-17(4-5-18(19)14-6-9-33-12-14)34(31,32)29-21(13-26)7-8-21/h1-6,9-12,29H,7-8H2,(H2,27,28,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339589
PNG
(US10202339, Compound 33)
Show SMILES Fc1ccccc1NC(=O)Nc1cc(ccc1-c1ccccc1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C21H17F4N3O3S/c22-17-8-4-5-9-18(17)27-20(29)28-19-12-15(32(30,31)26-13-21(23,24)25)10-11-16(19)14-6-2-1-3-7-14/h1-12,26H,13H2,(H2,27,28,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339620
PNG
(US10202339, Compound 64)
Show SMILES Fc1cccc(c1)-c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H19F4N3O3S/c27-19-8-4-6-17(14-19)23-13-12-22(37(35,36)33-20-9-2-1-3-10-20)16-24(23)32-25(34)31-21-11-5-7-18(15-21)26(28,29)30/h1-16,33H,(H2,31,32,34)
PDB

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UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339629
PNG
(US10202339, Compound 73)
Show SMILES CC1(C)CCCC(C1)NC(=O)Nc1cc(ccc1-c1ccccc1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C23H28F3N3O3S/c1-22(2)12-6-9-17(14-22)28-21(30)29-20-13-18(33(31,32)27-15-23(24,25)26)10-11-19(20)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,27H,6,9,12,14-15H2,1-2H3,(H2,28,29,30)
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US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339632
PNG
(US10202339, Compound 77)
Show SMILES Cn1ccc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)n1
Show InChI InChI=1S/C19H18F3N5O3S/c1-27-10-9-17(26-27)25-18(28)24-16-11-14(31(29,30)23-12-19(20,21)22)7-8-15(16)13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H2,24,25,26,28)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339641
PNG
(US10202339, Compound 86)
Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)n1
Show InChI InChI=1S/C20H16F4N4O3S/c21-17-7-4-8-18(27-17)28-19(29)26-16-11-14(32(30,31)25-12-20(22,23)24)9-10-15(16)13-5-2-1-3-6-13/h1-11,25H,12H2,(H2,26,27,28,29)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339649
PNG
(US10202339, Compound 94)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2cncc(c2)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C21H16F6N4O3S/c22-20(23,24)12-29-35(33,34)16-6-7-17(13-4-2-1-3-5-13)18(9-16)31-19(32)30-15-8-14(10-28-11-15)21(25,26)27/h1-11,29H,12H2,(H2,30,31,32)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339652
PNG
(US10202339, Compound 97)
Show SMILES Fc1ncccc1NC(=O)Nc1cc(ccc1-c1ccccc1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C20H16F4N4O3S/c21-18-16(7-4-10-25-18)27-19(29)28-17-11-14(32(30,31)26-12-20(22,23)24)8-9-15(17)13-5-2-1-3-6-13/h1-11,26H,12H2,(H2,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339679
PNG
(US10202339, Compound 124)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1
Show InChI InChI=1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339683
PNG
(US10202339, Compound 128)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCC2CCC2)c1
Show InChI InChI=1S/C23H22F3N3O3S2/c24-23(25,26)17-5-2-6-18(11-17)28-22(30)29-21-12-19(7-8-20(21)16-9-10-33-14-16)34(31,32)27-13-15-3-1-4-15/h2,5-12,14-15,27H,1,3-4,13H2,(H2,28,29,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339713
PNG
(US10202339, Compound 158)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2C2=CCOCC2)S(=O)(=O)NCC(F)(F)F)cc1Cl
Show InChI InChI=1S/C20H18ClF4N3O4S/c21-16-9-13(1-4-17(16)22)27-19(29)28-18-10-14(33(30,31)26-11-20(23,24)25)2-3-15(18)12-5-7-32-8-6-12/h1-5,9-10,26H,6-8,11H2,(H2,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339715
PNG
(US10202339, Compound 160)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(C2=CCOCC2)c(NC(=O)Nc2cc(ccn2)C(F)(F)F)c1
Show InChI InChI=1S/C20H18F6N4O4S/c21-19(22,23)11-28-35(32,33)14-1-2-15(12-4-7-34-8-5-12)16(10-14)29-18(31)30-17-9-13(3-6-27-17)20(24,25)26/h1-4,6,9-10,28H,5,7-8,11H2,(H2,27,29,30,31)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339717
PNG
(US10202339, Compound 162)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2C2CCCCO2)S(=O)(=O)NCC2CC2)c1
Show InChI InChI=1S/C23H26F3N3O4S/c24-23(25,26)16-4-3-5-17(12-16)28-22(30)29-20-13-18(34(31,32)27-14-15-7-8-15)9-10-19(20)21-6-1-2-11-33-21/h3-5,9-10,12-13,15,21,27H,1-2,6-8,11,14H2,(H2,28,29,30)
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n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339721
PNG
(US10202339, Compound 166)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2C2CCCCO2)S(=O)(=O)NCC(F)(F)F)cc1Cl
Show InChI InChI=1S/C20H20ClF4N3O4S/c21-15-9-12(4-7-16(15)22)27-19(29)28-17-10-13(33(30,31)26-11-20(23,24)25)5-6-14(17)18-3-1-2-8-32-18/h4-7,9-10,18,26H,1-3,8,11H2,(H2,27,28,29)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339725
PNG
(US10202339, Compound 170)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2C2CCCCO2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C25H24F3N3O4S/c26-25(27,28)17-7-6-10-19(15-17)29-24(32)30-22-16-20(12-13-21(22)23-11-4-5-14-35-23)36(33,34)31-18-8-2-1-3-9-18/h1-3,6-10,12-13,15-16,23,31H,4-5,11,14H2,(H2,29,30,32)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339726
PNG
(US10202339, Compound 171)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cc(ccn2)C(F)(F)F)c1
Show InChI InChI=1S/C20H20F6N4O4S/c21-19(22,23)11-28-35(32,33)13-4-5-14(16-3-1-2-8-34-16)15(10-13)29-18(31)30-17-9-12(6-7-27-17)20(24,25)26/h4-7,9-10,16,28H,1-3,8,11H2,(H2,27,29,30,31)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339738
PNG
(US10202339, Compound 183)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2OCC2CC2)S(=O)(=O)NC2COC2)c1
Show InChI InChI=1S/C21H22F3N3O5S/c22-21(23,24)14-2-1-3-15(8-14)25-20(28)26-18-9-17(33(29,30)27-16-11-31-12-16)6-7-19(18)32-10-13-4-5-13/h1-3,6-9,13,16,27H,4-5,10-12H2,(H2,25,26,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339756
PNG
(US10202339, Compound 201)
Show SMILES FC(F)(F)CNS(=O)(=O)c1cnc(OCC2CCOC2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H20F6N4O5S/c21-19(22,23)11-28-36(32,33)15-7-16(17(27-8-15)35-10-12-4-5-34-9-12)30-18(31)29-14-3-1-2-13(6-14)20(24,25)26/h1-3,6-8,12,28H,4-5,9-11H2,(H2,29,30,31)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339769
PNG
(US10202339, Compound 339)
Show SMILES CCc1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C18H17F6N3O3S/c1-2-11-6-7-14(31(29,30)25-10-17(19,20)21)9-15(11)27-16(28)26-13-5-3-4-12(8-13)18(22,23)24/h3-9,25H,2,10H2,1H3,(H2,26,27,28)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339771
PNG
(US10202339, Compound 341)
Show SMILES CN(c1ccccc1)c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C27H23F3N4O3S/c1-34(22-13-6-3-7-14-22)25-16-15-23(38(36,37)33-20-10-4-2-5-11-20)18-24(25)32-26(35)31-21-12-8-9-19(17-21)27(28,29)30/h2-18,33H,1H3,(H2,31,32,35)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339761
PNG
(US10202339, Compound 342 | US10202339, Compound 35...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-n2ccnc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C23H18F3N5O3S/c24-23(25,26)16-5-4-8-18(13-16)28-22(32)29-20-14-19(9-10-21(20)31-12-11-27-15-31)35(33,34)30-17-6-2-1-3-7-17/h1-15,30H,(H2,28,29,32)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339779
PNG
(US10202339, Compound 349)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2N2CCCOCC2)S(=O)(=O)NC2CC2)c1
Show InChI InChI=1S/C22H25F3N4O4S/c23-22(24,25)15-3-1-4-17(13-15)26-21(30)27-19-14-18(34(31,32)28-16-5-6-16)7-8-20(19)29-9-2-11-33-12-10-29/h1,3-4,7-8,13-14,16,28H,2,5-6,9-12H2,(H2,26,27,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

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


(Homo sapiens (Human))
BDBM339780
PNG
(US10202339, Compound 350)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2N2CCOCC2)S(=O)(=O)N2CCOCC2)c1
Show InChI InChI=1S/C22H25F3N4O5S/c23-22(24,25)16-2-1-3-17(14-16)26-21(30)27-19-15-18(35(31,32)29-8-12-34-13-9-29)4-5-20(19)28-6-10-33-11-7-28/h1-5,14-15H,6-13H2,(H2,26,27,30)
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339428
PNG
(US10202339, Compound 205)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-14-7-10-18(23-20(25)22-16-11-8-15(21)9-12-16)13-19(14)28(26,27)24-17-5-3-2-4-6-17/h2-13,24H,1H3,(H2,22,23,25)
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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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339437
PNG
(US10202339, Compound 214)
Show SMILES Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17Cl2N3O3S/c1-13-6-9-16(23-20(26)24-18-5-3-2-4-17(18)22)12-19(13)29(27,28)25-15-10-7-14(21)8-11-15/h2-12,25H,1H3,(H2,23,24,26)
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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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339443
PNG
(US10202339, Compound 220)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClIN3O3S/c1-13-2-7-18(24-20(26)23-16-10-5-15(22)6-11-16)12-19(13)29(27,28)25-17-8-3-14(21)4-9-17/h2-12,25H,1H3,(H2,23,24,26)
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US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339454
PNG
(US10202339, Compound 232)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16BrClF3N3O4S/c1-12-2-6-16(11-19(12)34(31,32)29-15-7-4-14(23)5-8-15)27-20(30)28-17-9-3-13(22)10-18(17)33-21(24,25)26/h2-11,29H,1H3,(H2,27,28,30)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339460
PNG
(US10202339, Compound 238)
Show SMILES Cc1cc(Br)ccc1NC(=O)Nc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19BrClN3O3S/c1-13-3-7-18(24-21(27)25-19-10-4-15(22)11-14(19)2)12-20(13)30(28,29)26-17-8-5-16(23)6-9-17/h3-12,26H,1-2H3,(H2,24,25,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339464
PNG
(US10202339, Compound 242)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)[N+]([O-])=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16Cl2N4O5S/c1-12-2-5-16(11-19(12)32(30,31)25-14-6-3-13(21)4-7-14)24-20(27)23-15-8-9-17(22)18(10-15)26(28)29/h2-11,25H,1H3,(H2,23,24,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM339479
PNG
(US10202339, Compound 257)
Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O3S/c1-14-7-10-19(24-22(27)25-21-15(2)5-4-6-16(21)3)13-20(14)30(28,29)26-18-11-8-17(23)9-12-18/h4-13,26H,1-3H3,(H2,24,25,27)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10202339 (2019)

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