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Patent code US11021515

Compile Data Set for Download or QSAR

Found 404 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132H


(Homo sapiens (Human))
BDBM363511
PNG
(US10640534, Compound 4 | US10689414, Compound 4 | ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)C1CCC(=O)N1c1ncccn1
Show InChI InChI=1S/C29H27ClF3N5O3/c30-22-8-2-1-7-21(22)25(26(40)36-19-11-13-29(32,33)14-12-19)37(20-6-3-5-18(31)17-20)27(41)23-9-10-24(39)38(23)28-34-15-4-16-35-28/h1-8,15-17,19,23,25H,9-14H2,(H,36,40)/t23?,25-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM501369
PNG
(US11021515, Compound 5)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccccn1
Show InChI InChI=1S/C28H24ClF3N4O3/c29-21-9-2-1-8-20(21)25(26(38)34-18-15-28(31,32)16-18)35(19-7-5-6-17(30)14-19)27(39)22-11-12-24(37)36(22)23-10-3-4-13-33-23/h1-10,13-14,18,22,25H,11-12,15-16H2,(H,34,38)/t22-,25-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363514
PNG
(US10640534, Compound 7 | US10689414, Compound 7 | ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCCCC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1S/C29H29ClFN5O3/c30-23-13-5-4-12-22(23)26(27(38)34-20-9-2-1-3-10-20)35(21-11-6-8-19(31)18-21)28(39)24-14-15-25(37)36(24)29-32-16-7-17-33-29/h4-8,11-13,16-18,20,24,26H,1-3,9-10,14-15H2,(H,34,38)/t24-,26-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM501382
PNG
(US11021515, Compound 18)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cnccn1
Show InChI InChI=1S/C27H23ClF3N5O3/c28-20-7-2-1-6-19(20)24(25(38)34-17-13-27(30,31)14-17)35(18-5-3-4-16(29)12-18)26(39)21-8-9-23(37)36(21)22-15-32-10-11-33-22/h1-7,10-12,15,17,21,24H,8-9,13-14H2,(H,34,38)/t21-,24-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363528
PNG
(US10640534, Compound 20 | US10689414, Compound 20 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1ncccn1
Show InChI InChI=1S/C28H25ClF3N5O3/c29-21-9-2-1-8-20(21)24(25(39)35-18-15-28(31,32)16-18)36(19-7-3-6-17(30)14-19)26(40)22-10-4-11-23(38)37(22)27-33-12-5-13-34-27/h1-3,5-9,12-14,18,22,24H,4,10-11,15-16H2,(H,35,39)/t22-,24-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363535
PNG
(US10640534, Compound 27 | US10689414, Compound 27 ...)
Show SMILES Cc1ccnc(c1)N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C29H26ClF3N4O3/c1-17-11-12-34-24(13-17)37-23(9-10-25(37)38)28(40)36(20-6-4-5-18(31)14-20)26(21-7-2-3-8-22(21)30)27(39)35-19-15-29(32,33)16-19/h2-8,11-14,19,23,26H,9-10,15-16H2,1H3,(H,35,39)/t23-,26-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363539
PNG
(US10640534, Compound 31 | US10689414, Compound 31 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C29H23ClF6N4O3/c30-21-7-2-1-6-20(21)25(26(42)38-18-13-28(32,33)14-18)39(19-5-3-4-17(31)12-19)27(43)22-9-11-24(41)40(22)23-10-8-16(15-37-23)29(34,35)36/h1-8,10,12,15,18,22,25H,9,11,13-14H2,(H,38,42)/t22-,25-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363563
PNG
(US10640534, Compound 53 | US10689414, Compound 53 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C31H27ClF3N5O3/c32-24-7-2-1-6-23(24)28(29(42)38-21-10-13-31(34,35)14-11-21)39(22-5-3-4-20(33)17-22)30(43)25-8-9-27(41)40(25)26-16-19(18-36)12-15-37-26/h1-7,12,15-17,21,25,28H,8-11,13-14H2,(H,38,42)/t25-,28-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363565
PNG
(US10640534, Compound 55 | US10689414, Compound 55 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C30H25ClF3N5O3/c31-23-8-2-1-7-22(23)27(28(41)37-20-15-30(33,34)16-20)38(21-6-3-5-19(32)14-21)29(42)24-9-4-10-26(40)39(24)25-13-18(17-35)11-12-36-25/h1-3,5-8,11-14,20,24,27H,4,9-10,15-16H2,(H,37,41)/t24-,27-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363574
PNG
(US10640534, Compound 63 | US10689414, Compound 63 ...)
Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H22Cl2F3N5O3/c30-20-5-2-6-21(31)25(20)26(27(41)37-18-13-29(33,34)14-18)38(19-4-1-3-17(32)12-19)28(42)22-7-8-24(40)39(22)23-11-16(15-35)9-10-36-23/h1-6,9-12,18,22,26H,7-8,13-14H2,(H,37,41)/t22-,26+/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363583
PNG
(US10640534, Compound 75 | US10689414, Compound 75 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C32H29ClF3N5O3/c33-25-8-2-1-7-24(25)29(30(43)39-22-11-14-32(35,36)15-12-22)40(23-6-3-5-21(34)18-23)31(44)26-9-4-10-28(42)41(26)27-17-20(19-37)13-16-38-27/h1-3,5-8,13,16-18,22,26,29H,4,9-12,14-15H2,(H,39,43)/t26-,29-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363588
PNG
(US10640534, Compound 80 | US10689414, Compound 80 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CNC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C28H22ClF3N6O3/c29-21-7-2-1-6-20(21)24(25(39)36-18-12-28(31,32)13-18)37(19-5-3-4-17(30)11-19)26(40)22-15-35-27(41)38(22)23-10-16(14-33)8-9-34-23/h1-11,18,22,24H,12-13,15H2,(H,35,41)(H,36,39)/t22-,24-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363589
PNG
(US10640534, Compound 81 | US10689414, Compound 81 ...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C31H26ClF4N5O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-7-10-31(35,36)11-8-21)40(22-15-19(33)14-20(34)16-22)30(44)25-5-6-27(42)41(25)26-13-18(17-37)9-12-38-26/h1-4,9,12-16,21,25,28H,5-8,10-11H2,(H,39,43)/t25-,28-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363592
PNG
(US10640534, Compound 84 | US10689414, Compound 84 ...)
Show SMILES NS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H25ClF2N6O5S/c30-22-7-2-1-6-21(22)26(27(40)36-18-14-29(31,32)15-18)37(19-4-3-5-20(13-19)44(34,42)43)28(41)23-8-9-25(39)38(23)24-12-17(16-33)10-11-35-24/h1-7,10-13,18,23,26H,8-9,14-15H2,(H,36,40)(H2,34,42,43)/t23-,26-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363596
PNG
(US10640534, Compound 87 | US10689414, Compound 87 ...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C30H25ClF4N6O3/c31-23-4-2-1-3-22(23)26(27(43)38-19-7-10-30(34,35)11-8-19)40(21-14-17(32)13-18(33)15-21)28(44)24-5-6-25(42)41(24)29-37-12-9-20(16-36)39-29/h1-4,9,12-15,19,24,26H,5-8,10-11H2,(H,38,43)/t24-,26-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363606
PNG
(US10640534, Compound 95 | US10689414, Compound 95 ...)
Show SMILES CS(=O)(=O)c1cccc(c1)N(C(C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C32H30ClF2N5O5S/c1-46(44,45)23-6-4-5-22(18-23)39(31(43)26-9-10-28(41)40(26)27-17-20(19-36)13-16-37-27)29(24-7-2-3-8-25(24)33)30(42)38-21-11-14-32(34,35)15-12-21/h2-8,13,16-18,21,26,29H,9-12,14-15H2,1H3,(H,38,42)/t26-,29?/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363611
PNG
(US10640534, Compound 100 | US10689414, Compound 10...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CNCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H23ClF4N6O3/c30-22-4-2-1-3-21(22)26(27(42)38-19-11-29(33,34)12-19)39(20-9-17(31)8-18(32)10-20)28(43)23-14-36-15-25(41)40(23)24-7-16(13-35)5-6-37-24/h1-10,19,23,26,36H,11-12,14-15H2,(H,38,42)/t23-,26-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363617
PNG
(US10640534, Compound 106 | US10689414, Compound 10...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CN(CC(=O)N1c1cc(ccn1)C#N)C1CC1
Show InChI InChI=1S/C32H27ClF4N6O3/c33-25-4-2-1-3-24(25)29(30(45)40-21-13-32(36,37)14-21)42(23-11-19(34)10-20(35)12-23)31(46)26-16-41(22-5-6-22)17-28(44)43(26)27-9-18(15-38)7-8-39-27/h1-4,7-12,21-22,26,29H,5-6,13-14,16-17H2,(H,40,45)/t26-,29-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363620
PNG
(US10640534, Compound 109 | US10717764, Compound 10...)
Show SMILES CS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C29H24ClF3N6O5S/c1-45(43,44)20-11-16(31)10-19(12-20)38(27(42)23-6-7-24(40)39(23)28-35-9-8-17(15-34)37-28)25(21-4-2-3-5-22(21)30)26(41)36-18-13-29(32,33)14-18/h2-5,8-12,18,23,25H,6-7,13-14H2,1H3,(H,36,41)/t23-,25-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363623
PNG
(US10640534, Compound 112 | US10689414, Compound 11...)
Show SMILES OCCN1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C30H26ClF3N6O4/c31-23-7-2-1-6-22(23)26(27(42)37-20-14-30(33,34)15-20)39(21-5-3-4-19(32)13-21)28(43)24-17-38(10-11-41)29(44)40(24)25-12-18(16-35)8-9-36-25/h1-9,12-13,20,24,26,41H,10-11,14-15,17H2,(H,37,42)/t24-,26?/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363623
PNG
(US10640534, Compound 112 | US10689414, Compound 11...)
Show SMILES OCCN1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C30H26ClF3N6O4/c31-23-7-2-1-6-22(23)26(27(42)37-20-14-30(33,34)15-20)39(21-5-3-4-19(32)13-21)28(43)24-17-38(10-11-41)29(44)40(24)25-12-18(16-35)8-9-36-25/h1-9,12-13,20,24,26,41H,10-11,14-15,17H2,(H,37,42)/t24-,26?/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363628
PNG
(US10640534, Compound 117 | US10689414, Compound 11...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1S/C28H21ClF4N6O4/c29-20-4-2-1-3-19(20)23(24(41)36-17-11-28(32,33)12-17)38(18-8-14(30)7-15(31)9-18)25(42)21-10-22(40)26(43)39(21)27-35-6-5-16(13-34)37-27/h1-9,17,21-23,40H,10-12H2,(H,36,41)/t21-,22+,23-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363650
PNG
(US10640534, Compound 137 | US10689414, Compound 13...)
Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C30H26ClF3N6O4/c31-23-4-2-1-3-22(23)26(27(41)38-20-5-9-30(33,34)10-6-20)39(21-14-19(32)16-36-17-21)28(42)24-8-12-44-29(43)40(24)25-13-18(15-35)7-11-37-25/h1-4,7,11,13-14,16-17,20,24,26H,5-6,8-10,12H2,(H,38,41)/t24-,26-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363655
PNG
(US10640534, Compound 142 | US10689414, Compound 14...)
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc2cn[nH]c12)c1ccccc1Cl
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363658
PNG
(US10640534, Compound 145 | US10717764, Compound 14...)
Show SMILES CC(C)(O)c1cc(F)cc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C31H27ClF3N5O5/c1-30(2,44)18-10-19(33)12-21(11-18)39(28(42)24-16-45-29(43)40(24)25-9-17(15-36)7-8-37-25)26(22-5-3-4-6-23(22)32)27(41)38-20-13-31(34,35)14-20/h3-12,20,24,26,44H,13-14,16H2,1-2H3,(H,38,41)/t24-,26?/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363668
PNG
(US10640534, Compound 155 | US10689414, Compound 15...)
Show SMILES CC(C)(O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C32H30F3N5O4/c1-31(2,44)21-13-22(33)15-24(14-21)39(28(20-6-4-3-5-7-20)29(42)38-23-16-32(34,35)17-23)30(43)25-8-9-27(41)40(25)26-12-19(18-36)10-11-37-26/h3-7,10-15,23,25,28,44H,8-9,16-17H2,1-2H3,(H,38,42)/t25-,28-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363671
PNG
(US10640534, Compound 158 | US10689414, Compound 15...)
Show SMILES NS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H24ClF3N6O5S/c30-22-4-2-1-3-21(22)26(27(41)37-18-13-29(32,33)14-18)38(19-10-17(31)11-20(12-19)45(35,43)44)28(42)23-5-6-25(40)39(23)24-9-16(15-34)7-8-36-24/h1-4,7-12,18,23,26H,5-6,13-14H2,(H,37,41)(H2,35,43,44)/t23-,26-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363673
PNG
(US10640534, Compound 160 | US10689414, Compound 16...)
Show SMILES OCCc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C31H28ClF2N5O4/c32-24-7-2-1-6-23(24)28(29(42)37-21-16-31(33,34)17-21)38(22-5-3-4-19(14-22)11-13-40)30(43)25-8-9-27(41)39(25)26-15-20(18-35)10-12-36-26/h1-7,10,12,14-15,21,25,28,40H,8-9,11,13,16-17H2,(H,37,42)/t25-,28-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363674
PNG
(US10640534, Compound 161 | US10689414, Compound 16...)
Show SMILES CN(C)c1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C31H29ClF2N6O3/c1-38(2)21-6-5-7-22(15-21)39(30(43)25-10-11-27(41)40(25)26-14-19(18-35)12-13-36-26)28(23-8-3-4-9-24(23)32)29(42)37-20-16-31(33,34)17-20/h3-9,12-15,20,25,28H,10-11,16-17H2,1-2H3,(H,37,42)/t25-,28-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363679
PNG
(US10640534, Compound 166 | US10689414, Compound 16...)
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc(c1)C#N)c1ccccc1Cl
Show InChI InChI=1S/C32H27ClF2N6O3/c33-25-7-2-1-6-24(25)29(30(43)39-22-10-13-32(34,35)14-11-22)40(23-5-3-4-20(16-23)18-36)31(44)26-8-9-28(42)41(26)27-17-21(19-37)12-15-38-27/h1-7,12,15-17,22,26,29H,8-11,13-14H2,(H,39,43)/t26-,29-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363693
PNG
(US10640534, Compound 180 | US10689414, Compound 18...)
Show SMILES FC(F)(F)Oc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C29H22ClF5N6O4/c30-21-7-2-1-6-20(21)24(25(43)38-17-13-28(31,32)14-17)40(18-4-3-5-19(12-18)45-29(33,34)35)26(44)22-8-9-23(42)41(22)27-37-11-10-16(15-36)39-27/h1-7,10-12,17,22,24H,8-9,13-14H2,(H,38,43)/t22-,24?/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363694
PNG
(US10689414, Compound 181 | US10717764, Compound 18...)
Show SMILES FC(F)Oc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C30H24ClF4N5O4/c31-22-7-2-1-6-21(22)26(27(42)38-18-14-30(34,35)15-18)39(19-4-3-5-20(13-19)44-29(32)33)28(43)23-8-9-25(41)40(23)24-12-17(16-36)10-11-37-24/h1-7,10-13,18,23,26,29H,8-9,14-15H2,(H,38,42)/t23-,26-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363699
PNG
(US10689414, Compound 186 | US11021515, Compound 18...)
Show SMILES FC1(F)CC(C1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc2cn[nH]c12)c1ccccc1Cl
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363706
PNG
(US10640534, Compound 193 | US10689414, Compound 19...)
Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C30H26ClF3N6O3/c31-23-4-2-1-3-22(23)27(28(42)38-20-7-10-30(33,34)11-8-20)39(21-14-19(32)16-36-17-21)29(43)24-5-6-26(41)40(24)25-13-18(15-35)9-12-37-25/h1-4,9,12-14,16-17,20,24,27H,5-8,10-11H2,(H,38,42)/t24-,27-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363718
PNG
(US10640534, Compound 205 | US10689414, Compound 20...)
Show SMILES Fc1cc(cc2cn[nH]c12)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363529
PNG
(US10640534, Compound 21 | US10689414, Compound 21 ...)
Show SMILES Cc1ccc(nc1)N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C29H26ClF3N4O3/c1-17-9-11-24(34-16-17)37-23(10-12-25(37)38)28(40)36(20-6-4-5-18(31)13-20)26(21-7-2-3-8-22(21)30)27(39)35-19-14-29(32,33)15-19/h2-9,11,13,16,19,23,26H,10,12,14-15H2,1H3,(H,35,39)/t23-,26-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363534
PNG
(US10640534, Compound 26 | US10689414, Compound 26 ...)
Show SMILES COc1ccc(nc1)N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C29H26ClF3N4O4/c1-41-20-9-11-24(34-16-20)37-23(10-12-25(37)38)28(40)36(19-6-4-5-17(31)13-19)26(21-7-2-3-8-22(21)30)27(39)35-18-14-29(32,33)15-18/h2-9,11,13,16,18,23,26H,10,12,14-15H2,1H3,(H,35,39)/t23-,26-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363535
PNG
(US10640534, Compound 27 | US10689414, Compound 27 ...)
Show SMILES Cc1ccnc(c1)N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C29H26ClF3N4O3/c1-17-11-12-34-24(13-17)37-23(9-10-25(37)38)28(40)36(20-6-4-5-18(31)14-20)26(21-7-2-3-8-22(21)30)27(39)35-19-15-29(32,33)16-19/h2-8,11-14,19,23,26H,9-10,15-16H2,1H3,(H,35,39)/t23-,26-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363537
PNG
(US10640534, Compound 29 | US10689414, Compound 29 ...)
Show SMILES Fc1ccc(nc1)N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1S/C28H23ClF4N4O3/c29-21-7-2-1-6-20(21)25(26(39)35-18-13-28(32,33)14-18)36(19-5-3-4-16(30)12-19)27(40)22-9-11-24(38)37(22)23-10-8-17(31)15-34-23/h1-8,10,12,15,18,22,25H,9,11,13-14H2,(H,35,39)/t22-,25-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363538
PNG
(US10640534, Compound 30 | US10689414, Compound 30 ...)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COCC(=O)N1c1ncccn1
Show InChI InChI=1S/C27H23ClF3N5O4/c28-20-8-2-1-7-19(20)23(24(38)34-17-12-27(30,31)13-17)35(18-6-3-5-16(29)11-18)25(39)21-14-40-15-22(37)36(21)26-32-9-4-10-33-26/h1-11,17,21,23H,12-15H2,(H,34,38)/t21-,23?/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363551
PNG
(US10640534, Compound 43 | US10689414, Compound 43 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cscn1
Show InChI InChI=1S/C26H22ClF3N4O3S/c27-19-7-2-1-6-18(19)23(24(36)32-16-11-26(29,30)12-16)33(17-5-3-4-15(28)10-17)25(37)20-8-9-22(35)34(20)21-13-38-14-31-21/h1-7,10,13-14,16,20,23H,8-9,11-12H2,(H,32,36)/t20-,23-/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363553
PNG
(US10640534, Compound 45 | US10689414, Compound 45 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COCC(=O)N1c1ncccn1
Show InChI InChI=1S/C27H23ClF3N5O4/c28-20-8-2-1-7-19(20)23(24(38)34-17-12-27(30,31)13-17)35(18-6-3-5-16(29)11-18)25(39)21-14-40-15-22(37)36(21)26-32-9-4-10-33-26/h1-11,17,21,23H,12-15H2,(H,34,38)/t21-,23-/m0/s1
PDB

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



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363574
PNG
(US10640534, Compound 63 | US10689414, Compound 63 ...)
Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C29H22Cl2F3N5O3/c30-20-5-2-6-21(31)25(20)26(27(41)37-18-13-29(33,34)14-18)38(19-4-1-3-17(32)12-19)28(42)22-7-8-24(40)39(22)23-11-16(15-35)9-10-36-23/h1-6,9-12,18,22,26H,7-8,13-14H2,(H,37,41)/t22-,26+/m0/s1
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363576
PNG
(US10640534, Compound 68 | US10689414, Compound 68 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1S/C28H22ClF3N6O3/c29-21-7-2-1-6-20(21)24(25(40)35-18-13-28(31,32)14-18)37(19-5-3-4-16(30)12-19)26(41)22-8-9-23(39)38(22)27-34-11-10-17(15-33)36-27/h1-7,10-12,18,22,24H,8-9,13-14H2,(H,35,40)/t22-,24-/m0/s1
PDB

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



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363581
PNG
(US10689414, Compound 73 | US10717764, Compound 73 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)N[C@H]1CCC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1S/C28H25ClF3N5O3/c29-21-8-2-1-7-20(21)24(25(39)35-18-11-12-28(31,32)16-18)36(19-6-3-5-17(30)15-19)26(40)22-9-10-23(38)37(22)27-33-13-4-14-34-27/h1-8,13-15,18,22,24H,9-12,16H2,(H,35,39)/t18-,22-,24-/m0/s1
PDB

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



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363581
PNG
(US10689414, Compound 73 | US10717764, Compound 73 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)N[C@H]1CCC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1S/C28H25ClF3N5O3/c29-21-8-2-1-7-20(21)24(25(39)35-18-11-12-28(31,32)16-18)36(19-6-3-5-17(30)15-19)26(40)22-9-10-23(38)37(22)27-33-13-4-14-34-27/h1-8,13-15,18,22,24H,9-12,16H2,(H,35,39)/t18-,22-,24-/m0/s1
PDB

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



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363582
PNG
(US10640534, Compound 74 | US10689414, Compound 74 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cscn1
Show InChI InChI=1S/C28H26ClF3N4O3S/c29-21-7-2-1-6-20(21)25(26(38)34-18-10-12-28(31,32)13-11-18)35(19-5-3-4-17(30)14-19)27(39)22-8-9-24(37)36(22)23-15-40-16-33-23/h1-7,14-16,18,22,25H,8-13H2,(H,34,38)/t22-,25-/m0/s1
PDB

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



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363584
PNG
(US10640534, Compound 76 | US10689414, Compound 78 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1ncccn1
Show InChI InChI=1S/C28H25ClF3N5O4/c29-21-8-2-1-7-20(21)23(24(38)35-18-9-11-28(31,32)12-10-18)36(19-6-3-5-17(30)15-19)25(39)22-16-41-27(40)37(22)26-33-13-4-14-34-26/h1-8,13-15,18,22-23H,9-12,16H2,(H,35,38)/t22-,23-/m0/s1
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363589
PNG
(US10640534, Compound 81 | US10689414, Compound 81 ...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1S/C31H26ClF4N5O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-7-10-31(35,36)11-8-21)40(22-15-19(33)14-20(34)16-22)30(44)25-5-6-27(42)41(25)26-13-18(17-37)9-12-38-26/h1-4,9,12-16,21,25,28H,5-8,10-11H2,(H,39,43)/t25-,28-/m0/s1
PDB

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



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363590
PNG
(US10640534, Compound 82 | US10689414, Compound 82 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(C#N)c1F
Show InChI InChI=1S/C29H22ClF4N5O3/c30-21-7-2-1-6-20(21)25(27(41)37-18-13-29(33,34)14-18)38(19-5-3-4-17(31)12-19)28(42)22-8-9-23(40)39(22)26-24(32)16(15-35)10-11-36-26/h1-7,10-12,18,22,25H,8-9,13-14H2,(H,37,41)/t22-,25-/m0/s1
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
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US11021515 (2021)

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