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Patent code US10610125

Compile Data Set for Download or QSAR
Found 24 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))
BDBM436175
PNG
(US10610125, Example Table 24a.1)
Show SMILES Cc1c(\C=C2/Sc3ccccc3C2=O)c(O)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C22H13N3O2S/c1-12-14(10-19-20(26)13-6-2-5-9-18(13)28-19)22(27)25-17-8-4-3-7-16(17)24-21(25)15(12)11-23/h2-10,27H,1H3/b19-10-
PDB

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US Patent
n/an/a 5.74E+3n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM436667
PNG
(US10610125, Example Table 24a.2)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(CCC(O)=O)nc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c1-20-12-14-21(15-13-20)25-18-26(32(29-25)23-10-6-3-7-11-23)24-19-31(17-16-27(33)34)30-28(24)22-8-4-2-5-9-22/h2-15,19,26H,16-18H2,1H3,(H,33,34)
PDB
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US Patent
n/an/a 5.92E+3n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM436668
PNG
(US10610125, Example Table 24a.3)
Show SMILES Fc1cccc(c1)C(=O)Oc1cccc(\C=C2/SC(=S)NC2=O)c1
Show InChI InChI=1S/C17H10FNO3S2/c18-12-5-2-4-11(9-12)16(21)22-13-6-1-3-10(7-13)8-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)/b14-8-
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n/an/a 8.61E+3n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436667
PNG
(US10610125, Example Table 24a.2)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(CCC(O)=O)nc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c1-20-12-14-21(15-13-20)25-18-26(32(29-25)23-10-6-3-7-11-23)24-19-31(17-16-27(33)34)30-28(24)22-8-4-2-5-9-22/h2-15,19,26H,16-18H2,1H3,(H,33,34)
PDB

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US Patent
n/an/a 1.23E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM436670
PNG
(US10610125, Example Table 24a.5)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(\C=C3\SC(=S)NC3=O)c2)cc1
Show InChI InChI=1S/C17H12N2O4S2/c20-16-15(25-17(24)18-16)9-12-2-1-3-14(8-12)23-10-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20,24)/b15-9+
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n/an/a 1.28E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436668
PNG
(US10610125, Example Table 24a.3)
Show SMILES Fc1cccc(c1)C(=O)Oc1cccc(\C=C2/SC(=S)NC2=O)c1
Show InChI InChI=1S/C17H10FNO3S2/c18-12-5-2-4-11(9-12)16(21)22-13-6-1-3-10(7-13)8-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)/b14-8-
PDB

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US Patent
n/an/a 1.28E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436668
PNG
(US10610125, Example Table 24a.3)
Show SMILES Fc1cccc(c1)C(=O)Oc1cccc(\C=C2/SC(=S)NC2=O)c1
Show InChI InChI=1S/C17H10FNO3S2/c18-12-5-2-4-11(9-12)16(21)22-13-6-1-3-10(7-13)8-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)/b14-8-
PDB

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US Patent
n/an/a 1.47E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436669
PNG
(US10610125, Example Table 24a.4)
Show SMILES Cc1cc(ccc1-c1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C23H17BrN2O5/c1-13-10-15(22(28)29)4-8-18(13)20-9-7-17(31-20)11-19-21(27)26(23(30)25-19)12-14-2-5-16(24)6-3-14/h2-11H,12H2,1H3,(H,25,30)(H,28,29)/b19-11+
PDB

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US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

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


(Homo sapiens (Human))
BDBM436175
PNG
(US10610125, Example Table 24a.1)
Show SMILES Cc1c(\C=C2/Sc3ccccc3C2=O)c(O)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C22H13N3O2S/c1-12-14(10-19-20(26)13-6-2-5-9-18(13)28-19)22(27)25-17-8-4-3-7-16(17)24-21(25)15(12)11-23/h2-10,27H,1H3/b19-10-
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n/an/a 1.62E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM436667
PNG
(US10610125, Example Table 24a.2)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(CCC(O)=O)nc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c1-20-12-14-21(15-13-20)25-18-26(32(29-25)23-10-6-3-7-11-23)24-19-31(17-16-27(33)34)30-28(24)22-8-4-2-5-9-22/h2-15,19,26H,16-18H2,1H3,(H,33,34)
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n/an/a 1.74E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436669
PNG
(US10610125, Example Table 24a.4)
Show SMILES Cc1cc(ccc1-c1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C23H17BrN2O5/c1-13-10-15(22(28)29)4-8-18(13)20-9-7-17(31-20)11-19-21(27)26(23(30)25-19)12-14-2-5-16(24)6-3-14/h2-11H,12H2,1H3,(H,25,30)(H,28,29)/b19-11+
PDB

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US Patent
n/an/a 1.92E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

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


(Homo sapiens (Human))
BDBM436668
PNG
(US10610125, Example Table 24a.3)
Show SMILES Fc1cccc(c1)C(=O)Oc1cccc(\C=C2/SC(=S)NC2=O)c1
Show InChI InChI=1S/C17H10FNO3S2/c18-12-5-2-4-11(9-12)16(21)22-13-6-1-3-10(7-13)8-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)/b14-8-
PDB

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n/an/a 1.92E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436670
PNG
(US10610125, Example Table 24a.5)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(\C=C3\SC(=S)NC3=O)c2)cc1
Show InChI InChI=1S/C17H12N2O4S2/c20-16-15(25-17(24)18-16)9-12-2-1-3-14(8-12)23-10-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20,24)/b15-9+
PDB

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n/an/a 2.38E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM436175
PNG
(US10610125, Example Table 24a.1)
Show SMILES Cc1c(\C=C2/Sc3ccccc3C2=O)c(O)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C22H13N3O2S/c1-12-14(10-19-20(26)13-6-2-5-9-18(13)28-19)22(27)25-17-8-4-3-7-16(17)24-21(25)15(12)11-23/h2-10,27H,1H3/b19-10-
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n/an/a 2.54E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436670
PNG
(US10610125, Example Table 24a.5)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(\C=C3\SC(=S)NC3=O)c2)cc1
Show InChI InChI=1S/C17H12N2O4S2/c20-16-15(25-17(24)18-16)9-12-2-1-3-14(8-12)23-10-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20,24)/b15-9+
PDB

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n/an/a 3.32E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM436669
PNG
(US10610125, Example Table 24a.4)
Show SMILES Cc1cc(ccc1-c1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C23H17BrN2O5/c1-13-10-15(22(28)29)4-8-18(13)20-9-7-17(31-20)11-19-21(27)26(23(30)25-19)12-14-2-5-16(24)6-3-14/h2-11H,12H2,1H3,(H,25,30)(H,28,29)/b19-11+
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n/an/a 3.38E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436667
PNG
(US10610125, Example Table 24a.2)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(CCC(O)=O)nc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c1-20-12-14-21(15-13-20)25-18-26(32(29-25)23-10-6-3-7-11-23)24-19-31(17-16-27(33)34)30-28(24)22-8-4-2-5-9-22/h2-15,19,26H,16-18H2,1H3,(H,33,34)
PDB

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n/an/a 4.14E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

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


(Homo sapiens (Human))
BDBM436669
PNG
(US10610125, Example Table 24a.4)
Show SMILES Cc1cc(ccc1-c1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C23H17BrN2O5/c1-13-10-15(22(28)29)4-8-18(13)20-9-7-17(31-20)11-19-21(27)26(23(30)25-19)12-14-2-5-16(24)6-3-14/h2-11H,12H2,1H3,(H,25,30)(H,28,29)/b19-11+
PDB

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n/an/a 4.68E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM436175
PNG
(US10610125, Example Table 24a.1)
Show SMILES Cc1c(\C=C2/Sc3ccccc3C2=O)c(O)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C22H13N3O2S/c1-12-14(10-19-20(26)13-6-2-5-9-18(13)28-19)22(27)25-17-8-4-3-7-16(17)24-21(25)15(12)11-23/h2-10,27H,1H3/b19-10-
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n/an/a 6.41E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

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


(Homo sapiens (Human))
BDBM436670
PNG
(US10610125, Example Table 24a.5)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(\C=C3\SC(=S)NC3=O)c2)cc1
Show InChI InChI=1S/C17H12N2O4S2/c20-16-15(25-17(24)18-16)9-12-2-1-3-14(8-12)23-10-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20,24)/b15-9+
PDB

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n/an/a 6.93E+4n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM436669
PNG
(US10610125, Example Table 24a.4)
Show SMILES Cc1cc(ccc1-c1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C23H17BrN2O5/c1-13-10-15(22(28)29)4-8-18(13)20-9-7-17(31-20)11-19-21(27)26(23(30)25-19)12-14-2-5-16(24)6-3-14/h2-11H,12H2,1H3,(H,25,30)(H,28,29)/b19-11+
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM436668
PNG
(US10610125, Example Table 24a.3)
Show SMILES Fc1cccc(c1)C(=O)Oc1cccc(\C=C2/SC(=S)NC2=O)c1
Show InChI InChI=1S/C17H10FNO3S2/c18-12-5-2-4-11(9-12)16(21)22-13-6-1-3-10(7-13)8-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)/b14-8-
PDB
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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM436670
PNG
(US10610125, Example Table 24a.5)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(\C=C3\SC(=S)NC3=O)c2)cc1
Show InChI InChI=1S/C17H12N2O4S2/c20-16-15(25-17(24)18-16)9-12-2-1-3-14(8-12)23-10-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20,24)/b15-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine ...


US Patent US10610125 (2020)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM436175
PNG
(US10610125, Example Table 24a.1)
Show SMILES Cc1c(\C=C2/Sc3ccccc3C2=O)c(O)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C22H13N3O2S/c1-12-14(10-19-20(26)13-6-2-5-9-18(13)28-19)22(27)25-17-8-4-3-7-16(17)24-21(25)15(12)11-23/h2-10,27H,1H3/b19-10-
PDB

GoogleScholar
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


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


US Patent US10610125 (2020)

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