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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))
BDBM339431
PNG
(US10202339, Compound 208)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H18F3N3O4S/c1-14-7-8-17(13-19(14)32(29,30)27-16-5-3-2-4-6-16)26-20(28)25-15-9-11-18(12-10-15)31-21(22,23)24/h2-13,27H,1H3,(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
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))
BDBM339444
PNG
(US10202339, Compound 221)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClF3N3O3S/c1-13-5-8-18(12-19(13)32(30,31)28-16-9-6-15(22)7-10-16)27-20(29)26-17-4-2-3-14(11-17)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))
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))
BDBM339462
PNG
(US10202339, Compound 240)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H19ClFN3O3S/c1-13-3-10-18(23)19(11-13)25-21(27)24-17-7-4-14(2)20(12-17)30(28,29)26-16-8-5-15(22)6-9-16/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))
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

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))
BDBM339499
PNG
(US10202339, Compound 277)
Show SMILES Cc1ccc(NC(=O)NCc2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19BrClN3O3S/c1-14-2-9-19(25-21(27)24-13-15-3-5-16(22)6-4-15)12-20(14)30(28,29)26-18-10-7-17(23)8-11-18/h2-12,26H,13H2,1H3,(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))
BDBM339503
PNG
(US10202339, Compound 282)
Show SMILES Cc1cccc(CNC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H22ClN3O3S/c1-15-4-3-5-17(12-15)14-24-22(27)25-20-9-6-16(2)21(13-20)30(28,29)26-19-10-7-18(23)8-11-19/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))
BDBM339516
PNG
(US10202339, Compound 295)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1F
Show InChI InChI=1S/C21H17F4N3O3S/c1-13-9-10-16(12-19(13)32(30,31)28-18-8-3-2-7-17(18)22)27-20(29)26-15-6-4-5-14(11-15)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))
BDBM339519
PNG
(US10202339, Compound 298)
Show SMILES Cc1cc(F)ccc1NS(=O)(=O)c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F4N3O3S/c1-13-6-8-18(28-21(30)27-17-5-3-4-15(11-17)22(24,25)26)12-20(13)33(31,32)29-19-9-7-16(23)10-14(19)2/h3-12,29H,1-2H3,(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))
BDBM339520
PNG
(US10202339, Compound 299)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H16ClF4N3O3S/c1-12-5-6-15(28-20(30)27-14-4-2-3-13(9-14)21(24,25)26)11-19(12)33(31,32)29-16-7-8-18(23)17(22)10-16/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))
BDBM339524
PNG
(US10202339, Compound 304)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C21H18F3N3O4S/c1-13-5-6-17(12-19(13)32(30,31)27-15-7-9-18(28)10-8-15)26-20(29)25-16-4-2-3-14(11-16)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<1.00E+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))
BDBM339533
PNG
(US10202339, Compound 314)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1S(=O)(=O)Nc1cccc(CCc2ccccc2)c1
Show InChI InChI=1S/C29H26F3N3O3S/c1-20-13-16-25(34-28(36)33-24-11-6-10-23(18-24)29(30,31)32)19-27(20)39(37,38)35-26-12-5-9-22(17-26)15-14-21-7-3-2-4-8-21/h2-13,16-19,35H,14-15H2,1H3,(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
IDH1 R132H


(Homo sapiens (Human))
BDBM339537
PNG
(US10202339, Compound 318)
Show SMILES CC(=O)n1ccc2cc(NS(=O)(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)ccc12
Show InChI InChI=1S/C25H21F3N4O4S/c1-15-6-7-20(30-24(34)29-19-5-3-4-18(13-19)25(26,27)28)14-23(15)37(35,36)31-21-8-9-22-17(12-21)10-11-32(22)16(2)33/h3-14,31H,1-2H3,(H2,29,30,34)
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))
BDBM339545
PNG
(US10202339, Compound 326)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1S(=O)(=O)Nc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H20F3N3O6S/c1-14-2-5-18(28-22(32)27-16-6-3-15(4-7-16)23(24,25)26)12-20(14)36(33,34)29-17-8-10-19(11-9-17)35-13-21(30)31/h2-12,29H,13H2,1H3,(H,30,31)(H2,27,28,32)
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))
BDBM339555
PNG
(US10202339, Compound 336)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C27H24Cl2N4O5S2/c1-17-3-9-23(15-25(17)39(35,36)32-21-11-5-19(28)6-12-21)30-27(34)31-24-10-4-18(2)26(16-24)40(37,38)33-22-13-7-20(29)8-14-22/h3-16,32-33H,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
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339559
PNG
(US10202339, Compound 3)
Show SMILES Cc1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H21N3O3S2/c1-17-6-5-9-20(14-17)25-24(28)26-23-15-21(10-11-22(23)18-12-13-31-16-18)32(29,30)27-19-7-3-2-4-8-19/h2-16,27H,1H3,(H2,25,26,28)
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))
BDBM339563
PNG
(US10202339, Compound 7)
Show SMILES COc1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H21N3O4S2/c1-31-20-9-5-8-19(14-20)25-24(28)26-23-15-21(10-11-22(23)17-12-13-32-16-17)33(29,30)27-18-6-3-2-4-7-18/h2-16,27H,1H3,(H2,25,26,28)
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))
BDBM339565
PNG
(US10202339, Compound 9)
Show SMILES Fc1ccccc1NC(=O)Nc1cc(ccc1-c1ccsc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H18FN3O3S2/c24-20-8-4-5-9-21(20)25-23(28)26-22-14-18(10-11-19(22)16-12-13-31-15-16)32(29,30)27-17-6-2-1-3-7-17/h1-15,27H,(H2,25,26,28)
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))
BDBM339575
PNG
(US10202339, Compound 19)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)cc1Cl
Show InChI InChI=1S/C23H17ClFN3O3S2/c24-20-12-17(6-9-21(20)25)26-23(29)27-22-13-18(7-8-19(22)15-10-11-32-14-15)33(30,31)28-16-4-2-1-3-5-16/h1-14,28H,(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
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))
BDBM339577
PNG
(US10202339, Compound 21)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C24H17F4N3O3S2/c25-21-9-6-17(12-20(21)24(26,27)28)29-23(32)30-22-13-18(7-8-19(22)15-10-11-35-14-15)36(33,34)31-16-4-2-1-3-5-16/h1-14,31H,(H2,29,30,32)
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))
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))
BDBM339593
PNG
(US10202339, Compound 37)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2ccc(Cl)cc2)c1)-c1ccccc1
Show InChI InChI=1S/C21H17ClF3N3O3S/c22-15-6-8-16(9-7-15)27-20(29)28-19-12-17(32(30,31)26-13-21(23,24)25)10-11-18(19)14-4-2-1-3-5-14/h1-12,26H,13H2,(H2,27,28,29)
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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))
BDBM339599
PNG
(US10202339, Compound 43)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2ccccc2OC(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C22H17F6N3O4S/c23-21(24,25)13-29-36(33,34)15-10-11-16(14-6-2-1-3-7-14)18(12-15)31-20(32)30-17-8-4-5-9-19(17)35-22(26,27)28/h1-12,29H,13H2,(H2,30,31,32)
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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))
BDBM339619
PNG
(US10202339, Compound 63)
Show SMILES Fc1ccccc1-c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H19F4N3O3S/c27-23-12-5-4-11-21(23)22-14-13-20(37(35,36)33-18-8-2-1-3-9-18)16-24(22)32-25(34)31-19-10-6-7-17(15-19)26(28,29)30/h1-16,33H,(H2,31,32,34)
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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))
BDBM339633
PNG
(US10202339, Compound 78)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2ccncc2C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C21H16F6N4O3S/c22-20(23,24)12-29-35(33,34)14-6-7-15(13-4-2-1-3-5-13)18(10-14)31-19(32)30-17-8-9-28-11-16(17)21(25,26)27/h1-11,29H,12H2,(H2,28,30,31,32)
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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))
BDBM339639
PNG
(US10202339, Compound 84)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2cnccc2C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C21H16F6N4O3S/c22-20(23,24)12-29-35(33,34)14-6-7-15(13-4-2-1-3-5-13)17(10-14)30-19(32)31-18-11-28-9-8-16(18)21(25,26)27/h1-11,29H,12H2,(H2,30,31,32)
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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))
BDBM339643
PNG
(US10202339, Compound 88)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2cccc(Cl)c2)c1)-c1ccccc1
Show InChI InChI=1S/C21H17ClF3N3O3S/c22-15-7-4-8-16(11-15)27-20(29)28-19-12-17(32(30,31)26-13-21(23,24)25)9-10-18(19)14-5-2-1-3-6-14/h1-12,26H,13H2,(H2,27,28,29)
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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))
BDBM339644
PNG
(US10202339, Compound 89)
Show SMILES Fc1cc(F)cc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H16F5N3O3S/c22-14-8-15(23)10-16(9-14)28-20(30)29-19-11-17(33(31,32)27-12-21(24,25)26)6-7-18(19)13-4-2-1-3-5-13/h1-11,27H,12H2,(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))
BDBM339645
PNG
(US10202339, Compound 90)
Show SMILES Fc1ccc(Cl)c(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H16ClF4N3O3S/c22-17-9-6-14(23)10-19(17)29-20(30)28-18-11-15(33(31,32)27-12-21(24,25)26)7-8-16(18)13-4-2-1-3-5-13/h1-11,27H,12H2,(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))
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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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))
BDBM339653
PNG
(US10202339, Compound 98)
Show SMILES Fc1cncc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C20H16F4N4O3S/c21-14-8-15(11-25-10-14)27-19(29)28-18-9-16(32(30,31)26-12-20(22,23)24)6-7-17(18)13-4-2-1-3-5-13/h1-11,26H,12H2,(H2,27,28,29)
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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))
BDBM339656
PNG
(US10202339, Compound 101)
Show SMILES Cc1nc(NC(=O)Nc2cc(ccc2-c2ccccc2)S(=O)(=O)NCC(F)(F)F)sc1Cl
Show InChI InChI=1S/C19H16ClF3N4O3S2/c1-11-16(20)31-18(25-11)27-17(28)26-15-9-13(32(29,30)24-10-19(21,22)23)7-8-14(15)12-5-3-2-4-6-12/h2-9,24H,10H2,1H3,(H2,25,26,27,28)
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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))
BDBM339661
PNG
(US10202339, Compound 106)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2nccc(n2)C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C20H15F6N5O3S/c21-19(22,23)11-28-35(33,34)13-6-7-14(12-4-2-1-3-5-12)15(10-13)29-18(32)31-17-27-9-8-16(30-17)20(24,25)26/h1-10,28H,11H2,(H2,27,29,30,31,32)
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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))
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))
BDBM339692
PNG
(US10202339, Compound 137)
Show SMILES CN(C)S(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H18F3N3O3S2/c1-26(2)31(28,29)16-6-7-17(13-8-9-30-12-13)18(11-16)25-19(27)24-15-5-3-4-14(10-15)20(21,22)23/h3-12H,1-2H3,(H2,24,25,27)
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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))
BDBM339700
PNG
(US10202339, Compound 145)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1)c1ccccc1
Show InChI InChI=1S/C26H22F3N3O3S2/c1-17(18-6-3-2-4-7-18)32-37(34,35)22-10-11-23(19-12-13-36-16-19)24(15-22)31-25(33)30-21-9-5-8-20(14-21)26(27,28)29/h2-17,32H,1H3,(H2,30,31,33)/t17-/m0/s1
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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))
BDBM339705
PNG
(US10202339, Compound 150)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2cccnc2)c1
Show InChI InChI=1S/C23H17F3N4O3S2/c24-23(25,26)16-3-1-4-17(11-16)28-22(31)29-21-12-19(6-7-20(21)15-8-10-34-14-15)35(32,33)30-18-5-2-9-27-13-18/h1-14,30H,(H2,28,29,31)
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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))
BDBM339720
PNG
(US10202339, Compound 165)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F6N3O4S/c22-20(23,24)12-28-35(32,33)15-7-8-16(18-6-1-2-9-34-18)17(11-15)30-19(31)29-14-5-3-4-13(10-14)21(25,26)27/h3-5,7-8,10-11,18,28H,1-2,6,9,12H2,(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))
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))
BDBM339735
PNG
(US10202339, Compound 179)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2OCC2CC2)S(=O)(=O)NC2(CC2)C#N)c1
Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)15-2-1-3-16(10-15)27-20(30)28-18-11-17(6-7-19(18)33-12-14-4-5-14)34(31,32)29-21(13-26)8-9-21/h1-3,6-7,10-11,14,29H,4-5,8-9,12H2,(H2,27,28,30)
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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))
BDBM339737
PNG
(US10202339, Compound 181)
Show SMILES CCOc1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NC1(CC1)C#N
Show InChI InChI=1S/C20H19F3N4O4S/c1-2-31-17-7-6-15(32(29,30)27-19(12-24)8-9-19)11-16(17)26-18(28)25-14-5-3-4-13(10-14)20(21,22)23/h3-7,10-11,27H,2,8-9H2,1H3,(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))
BDBM339746
PNG
(US10202339, Compound 191)
Show SMILES CCOc1ccc(cc1NC(=O)Nc1ncc(Cl)s1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C14H14ClF3N4O4S2/c1-2-26-10-4-3-8(28(24,25)20-7-14(16,17)18)5-9(10)21-12(23)22-13-19-6-11(15)27-13/h3-6,20H,2,7H2,1H3,(H2,19,21,22,23)
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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))
BDBM339777
PNG
(US10202339, Compound 347)
Show SMILES CC(C)N(C)c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H25F3N4O3S/c1-16(2)31(3)22-13-12-20(35(33,34)30-18-9-5-4-6-10-18)15-21(22)29-23(32)28-19-11-7-8-17(14-19)24(25,26)27/h4-16,30H,1-3H3,(H2,28,29,32)
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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
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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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))
BDBM339447
PNG
(US10202339, Compound 224)
Show SMILES Cc1ccc(NC(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClF3N3O4S/c1-13-6-9-16(12-19(13)33(30,31)28-15-10-7-14(22)8-11-15)26-20(29)27-17-4-2-3-5-18(17)32-21(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))
BDBM339457
PNG
(US10202339, Compound 235)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C21H19Cl2N3O3S/c1-13-3-7-17(11-19(13)23)24-21(27)25-18-8-4-14(2)20(12-18)30(28,29)26-16-9-5-15(22)6-10-16/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))
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

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))
BDBM339477
PNG
(US10202339, Compound 255)
Show SMILES Cc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O3S/c1-16-9-12-19(15-22(16)32(30,31)28-18-13-10-17(25)11-14-18)26-23(29)27-21-8-6-5-7-20(21)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))
BDBM339480
PNG
(US10202339, Compound 258)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)c1C
Show InChI InChI=1S/C22H22ClN3O3S/c1-14-5-4-6-20(16(14)3)25-22(27)24-19-10-7-15(2)21(13-19)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%