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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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic [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 |r|
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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363536
PNG
(US10640534, Compound 28 | US10689414, Compound 28 ...)
Show SMILES Cc1cccc(n1)N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H26ClF3N4O3/c1-17-6-4-11-24(34-17)37-23(12-13-25(37)38)28(40)36(20-8-5-7-18(31)14-20)26(21-9-2-3-10-22(21)30)27(39)35-19-15-29(32,33)16-19/h2-11,14,19,23,26H,12-13,15-16H2,1H3,(H,35,39)/t23-,26-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363541
PNG
(US10640534, Compound 33 | US10689414, Compound 33 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(Cl)ccn1 |r|
Show InChI InChI=1S/C28H23Cl2F3N4O3/c29-16-10-11-34-23(12-16)37-22(8-9-24(37)38)27(40)36(19-5-3-4-17(31)13-19)25(20-6-1-2-7-21(20)30)26(39)35-18-14-28(32,33)15-18/h1-7,10-13,18,22,25H,8-9,14-15H2,(H,35,39)/t22-,25-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363549
PNG
(US10640534, Compound 41 | US10689414, Compound 41 ...)
Show SMILES COc1cccc(n1)N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H26ClF3N4O4/c1-41-24-11-5-10-23(35-24)37-22(12-13-25(37)38)28(40)36(19-7-4-6-17(31)14-19)26(20-8-2-3-9-21(20)30)27(39)34-18-15-29(32,33)16-18/h2-11,14,18,22,26H,12-13,15-16H2,1H3,(H,34,39)/t22-,26-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363556
PNG
(US10640534, Compound 47 | US10689414, Compound 47 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C29H23ClF3N5O3/c30-22-7-2-1-6-21(22)26(27(40)36-19-13-29(32,33)14-19)37(20-5-3-4-18(31)12-20)28(41)23-9-11-25(39)38(23)24-10-8-17(15-34)16-35-24/h1-8,10,12,16,19,23,26H,9,11,13-14H2,(H,36,40)/t23-,26-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363560
PNG
(US10640534, Compound 51 | US10689414, Compound 51 ...)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1 |r|
Show InChI InChI=1S/C27H22Cl2F3N5O3/c28-18-6-2-7-19(29)22(18)23(24(39)35-16-13-27(31,32)14-16)36(17-5-1-4-15(30)12-17)25(40)20-8-9-21(38)37(20)26-33-10-3-11-34-26/h1-7,10-12,16,20,23H,8-9,13-14H2,(H,35,39)/t20-,23?/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363561
PNG
(US10640534, Compound 52 | US10689414, Compound 52 ...)
Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
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




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [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 |r|
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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(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 |r|
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


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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(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 |r|
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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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363591
PNG
(US10640534, Compound 83 | US10689414, Compound 83 ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(C#N)c1F |r|
Show InChI InChI=1S/C31H26ClF4N5O3/c32-23-7-2-1-6-22(23)27(29(43)39-20-10-13-31(35,36)14-11-20)40(21-5-3-4-19(33)16-21)30(44)24-8-9-25(42)41(24)28-26(34)18(17-37)12-15-38-28/h1-7,12,15-16,20,24,27H,8-11,13-14H2,(H,39,43)/t24-,27-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363595
PNG
(US10640534, Compound 86 | US10689414, Compound 86 ...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r|
Show InChI InChI=1S/C28H21ClF4N6O3/c29-21-4-2-1-3-20(21)24(25(41)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)26(42)22-5-6-23(40)39(22)27-35-8-7-17(14-34)37-27/h1-4,7-11,18,22,24H,5-6,12-13H2,(H,36,41)/t22-,24-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(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 |r|
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


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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363601
PNG
(US10640534, Compound 92 | US10689414, Compound 92 ...)
Show SMILES CC(=O)N1C[C@H](N(C(=O)C1)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r|
Show InChI InChI=1S/C31H26ClF3N6O4/c1-18(42)39-16-25(41(27(43)17-39)26-11-19(15-36)9-10-37-26)30(45)40(22-6-4-5-20(33)12-22)28(23-7-2-3-8-24(23)32)29(44)38-21-13-31(34,35)14-21/h2-12,21,25,28H,13-14,16-17H2,1H3,(H,38,44)/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM501455
PNG
(US11021515, Compound 94)
Show SMILES CCOC(=O)CN1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r|
Show InChI InChI=1S/C32H28ClF3N6O5/c1-2-47-27(43)18-40-17-25(42(31(40)46)26-12-19(16-37)10-11-38-26)30(45)41(22-7-5-6-20(34)13-22)28(23-8-3-4-9-24(23)33)29(44)39-21-14-32(35,36)15-21/h3-13,21,25,28H,2,14-15,17-18H2,1H3,(H,39,44)/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [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 |r|
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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(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 |r|
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




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363613
PNG
(US10640534, Compound 102 | US10689414, Compound 10...)
Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r|
Show InChI InChI=1S/C29H25ClF2N6O5S/c1-44(42,43)20-6-4-5-19(13-20)37(27(41)23-9-10-24(39)38(23)28-34-12-11-17(16-33)36-28)25(21-7-2-3-8-22(21)30)26(40)35-18-14-29(31,32)15-18/h2-8,11-13,18,23,25H,9-10,14-15H2,1H3,(H,35,40)/t23-,25-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363614
PNG
(US10640534, Compound 103 | US10689414, Compound 10...)
Show SMILES CS(=O)(=O)c1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r|
Show InChI InChI=1S/C31H29ClF2N6O5S/c1-46(44,45)22-6-4-5-21(17-22)39(29(43)25-9-10-26(41)40(25)30-36-16-13-20(18-35)38-30)27(23-7-2-3-8-24(23)32)28(42)37-19-11-14-31(33,34)15-12-19/h2-8,13,16-17,19,25,27H,9-12,14-15H2,1H3,(H,37,42)/t25-,27-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(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 |r|
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


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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363618
PNG
(US10640534, Compound 107 | US10689414, Compound 10...)
Show SMILES OCCN1C[C@H](N(C(=O)C1)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C31H27ClF4N6O4/c32-24-4-2-1-3-23(24)28(29(45)39-21-13-31(35,36)14-21)41(22-11-19(33)10-20(34)12-22)30(46)25-16-40(7-8-43)17-27(44)42(25)26-9-18(15-37)5-6-38-26/h1-6,9-12,21,25,28,43H,7-8,13-14,16-17H2,(H,39,45)/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363625
PNG
(US10640534, Compound 114 | US10689414, Compound 11...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25+/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363626
PNG
(US10640534, Compound 115 | US10689414, Compound 11...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C29H22ClF4N5O4/c30-21-4-2-1-3-20(21)25(26(41)37-18-12-29(33,34)13-18)38(19-9-16(31)8-17(32)10-19)27(42)22-11-23(40)28(43)39(22)24-7-15(14-35)5-6-36-24/h1-10,18,22-23,25,40H,11-13H2,(H,37,41)/t22-,23+,25-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363640
PNG
(US10640534, Compound 127 | US10689414, Compound 12...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C30H25ClF4N6O4/c31-22-4-2-1-3-21(22)25(26(43)38-18-5-8-30(34,35)9-6-18)40(20-12-16(32)11-17(33)13-20)27(44)23-14-24(42)28(45)41(23)29-37-10-7-19(15-36)39-29/h1-4,7,10-13,18,23-25,42H,5-6,8-9,14H2,(H,38,43)/t23-,24+,25-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363646
PNG
(US10640534, Compound 133 | US10689414, Compound 13...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1cc(ccn1)C#N |r|
Show InChI InChI=1S/C29H22ClF4N5O4/c30-22-4-2-1-3-21(22)25(26(40)37-19-13-29(33,34)14-19)38(20-11-17(31)10-18(32)12-20)27(41)23-6-8-43-28(42)39(23)24-9-16(15-35)5-7-36-24/h1-5,7,9-12,19,23,25H,6,8,13-14H2,(H,37,40)/t23-,25-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363657
PNG
(US10640534, Compound 144 | US10689414, Compound 14...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1nccc(n1)C#N |r|
Show InChI InChI=1S/C30H25ClF4N6O4/c31-23-4-2-1-3-22(23)25(26(42)38-19-5-9-30(34,35)10-6-19)40(21-14-17(32)13-18(33)15-21)27(43)24-8-12-45-29(44)41(24)28-37-11-7-20(16-36)39-28/h1-4,7,11,13-15,19,24-25H,5-6,8-10,12H2,(H,38,42)/t24-,25-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363667
PNG
(US10640534, Compound 154 | US10689414, Compound 15...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1nccc(n1)C#N |r|
Show InChI InChI=1S/C28H21ClF4N6O4/c29-21-4-2-1-3-20(21)23(24(40)36-18-12-28(32,33)13-18)38(19-10-15(30)9-16(31)11-19)25(41)22-6-8-43-27(42)39(22)26-35-7-5-17(14-34)37-26/h1-5,7,9-11,18,22-23H,6,8,12-13H2,(H,36,40)/t22-,23-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363579
PNG
(US10640534, Compound 163 | US10689414, Compound 16...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Show InChI InChI=1S/C29H22ClF4N5O3/c30-22-4-2-1-3-21(22)26(27(41)37-19-13-29(33,34)14-19)38(20-11-17(31)10-18(32)12-20)28(42)23-5-6-25(40)39(23)24-9-16(15-35)7-8-36-24/h1-4,7-12,19,23,26H,5-6,13-14H2,(H,37,41)/t23-,26-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363683
PNG
(US10640534, Compound 170 | US10689414, Compound 17...)
Show SMILES O[C@@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C30H23ClF2N6O4/c31-22-7-2-1-6-21(22)26(27(41)37-19-13-30(32,33)14-19)38(20-5-3-4-17(10-20)15-34)28(42)23-12-24(40)29(43)39(23)25-11-18(16-35)8-9-36-25/h1-11,19,23-24,26,40H,12-14H2,(H,37,41)/t23-,24+,26?/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363687
PNG
(US10640534, Compound 174 | US10689414, Compound 17...)
Show SMILES O[C@H]1C[C@H](N(C1=O)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C31H26ClF4N5O4/c32-23-4-2-1-3-22(23)27(28(43)39-20-5-8-31(35,36)9-6-20)40(21-13-18(33)12-19(34)14-21)29(44)24-15-25(42)30(45)41(24)26-11-17(16-37)7-10-38-26/h1-4,7,10-14,20,24-25,27,42H,5-6,8-9,15H2,(H,39,43)/t24-,25-,27-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363700
PNG
(US10640534, Compound 187 | US10689414, Compound 18...)
Show SMILES Fc1ccccc1N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Show InChI InChI=1S/C29H23ClF3N5O3/c30-20-6-2-1-5-19(20)26(27(40)36-18-14-29(32,33)15-18)38(22-8-4-3-7-21(22)31)28(41)23-9-10-25(39)37(23)24-13-17(16-34)11-12-35-24/h1-8,11-13,18,23,26H,9-10,14-15H2,(H,36,40)/t23-,26-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363704
PNG
(US10640534, Compound 191 | US10689414, Compound 19...)
Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cc(cc(c1)C#N)C#N)c1ccccc1Cl |r|
Show InChI InChI=1S/C31H22ClF2N7O3/c32-24-4-2-1-3-23(24)28(29(43)39-21-13-31(33,34)14-21)40(22-10-19(16-36)9-20(11-22)17-37)30(44)25-5-6-27(42)41(25)26-12-18(15-35)7-8-38-26/h1-4,7-12,21,25,28H,5-6,13-14H2,(H,39,43)/t25-,28?/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363713
PNG
(US10640534, Compound 200 | US10689414, Compound 20...)
Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc(c1)-c1cn[nH]c1)c1ccccc1Cl |r|
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM442016
PNG
(US10640534, Compound 209 | US10689414, Compound 20...)
Show SMILES Cn1ccc2cc(ccc12)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Show InChI InChI=1S/C32H27ClF2N6O3/c1-39-13-11-20-15-22(6-7-25(20)39)40(31(44)26-8-9-28(42)41(26)27-14-19(18-36)10-12-37-27)29(23-4-2-3-5-24(23)33)30(43)38-21-16-32(34,35)17-21/h2-7,10-15,21,26,29H,8-9,16-17H2,1H3,(H,38,43)/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363723
PNG
(US10640534, Compound 210 | US10689414, Compound 21...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Show InChI InChI=1S/C29H23F4N5O3/c30-19-11-20(31)13-22(12-19)37(26(18-4-2-1-3-5-18)27(40)36-21-14-29(32,33)15-21)28(41)23-6-7-25(39)38(23)24-10-17(16-34)8-9-35-24/h1-5,8-13,21,23,26H,6-7,14-15H2,(H,36,40)/t23-,26-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363724
PNG
(US10640534, Compound 211 | US10689414, Compound 21...)
Show SMILES Fc1cc(cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)C#N |r|
Show InChI InChI=1S/C30H23F3N6O3/c31-21-10-19(17-35)11-23(13-21)38(27(20-4-2-1-3-5-20)28(41)37-22-14-30(32,33)15-22)29(42)24-6-7-26(40)39(24)25-12-18(16-34)8-9-36-25/h1-5,8-13,22,24,27H,6-7,14-15H2,(H,37,41)/t24-,27-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363651
PNG
(US10640534, Compound 138 | US10689414, Compound 13...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Show InChI InChI=1S/C29H24F3N5O3/c30-20-7-4-8-22(14-20)36(26(19-5-2-1-3-6-19)27(39)35-21-15-29(31,32)16-21)28(40)23-9-10-25(38)37(23)24-13-18(17-33)11-12-34-24/h1-8,11-14,21,23,26H,9-10,15-16H2,(H,35,39)/t23-,26-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363654
PNG
(US10640534, Compound 141 | US10689414, Compound 14...)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc2[nH]cnc12)c1ccccc1Cl |r|
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363703
PNG
(US10640534, Compound 190 | US10689414, Compound 19...)
Show SMILES C[S@](=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 |r|
Show InChI InChI=1S/C30H25ClF3N5O4S/c1-44(43)21-12-18(32)11-20(13-21)38(29(42)24-6-7-26(40)39(24)25-10-17(16-35)8-9-36-25)27(22-4-2-3-5-23(22)31)28(41)37-19-14-30(33,34)15-19/h2-5,8-13,19,24,27H,6-7,14-15H2,1H3,(H,37,41)/t24-,27-,44-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363712
PNG
(US10640534, Compound 199 | US10689414, Compound 19...)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Show InChI InChI=1S/C29H21Cl2F4N5O3/c30-20-2-1-3-21(31)25(20)26(27(42)38-18-12-29(34,35)13-18)39(19-10-16(32)9-17(33)11-19)28(43)22-4-5-24(41)40(22)23-8-15(14-36)6-7-37-23/h1-3,6-11,18,22,26H,4-5,12-13H2,(H,38,42)/t22-,26-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363516
PNG
(US10640534, Compound 9 | US10689414, Compound 9 | ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1ncccn1 |r|
Show InChI InChI=1S/C26H21ClF3N5O4/c27-19-8-2-1-7-18(19)21(22(36)33-16-12-26(29,30)13-16)34(17-6-3-5-15(28)11-17)23(37)20-14-39-25(38)35(20)24-31-9-4-10-32-24/h1-11,16,20-21H,12-14H2,(H,33,36)/t20-,21-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM363516
PNG
(US10640534, Compound 9 | US10689414, Compound 9 | ...)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1ncccn1 |r|
Show InChI InChI=1S/C26H21ClF3N5O4/c27-19-8-2-1-7-18(19)21(22(36)33-16-12-26(29,30)13-16)34(17-6-3-5-15(28)11-17)23(37)20-14-39-25(38)35(20)24-31-9-4-10-32-24/h1-11,16,20-21H,12-14H2,(H,33,36)/t20-,21-/m0/s1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363523
PNG
(US10640534, Compound 15 | US10689414, Compound 15 ...)
Show SMILES Cc1cccnc1N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H26ClF3N4O3/c1-17-6-5-13-34-26(17)37-23(11-12-24(37)38)28(40)36(20-8-4-7-18(31)14-20)25(21-9-2-3-10-22(21)30)27(39)35-19-15-29(32,33)16-19/h2-10,13-14,19,23,25H,11-12,15-16H2,1H3,(H,35,39)/t23-,25-/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(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 |r|
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
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US11021515 (2021)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM363542
PNG
(US10640534, Compound 34 | US10689414, Compound 34 ...)
Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cccc(Cl)n1 |r|
Show InChI InChI=1S/C28H23Cl2F3N4O3/c29-20-8-2-1-7-19(20)25(26(39)34-17-14-28(32,33)15-17)36(18-6-3-5-16(31)13-18)27(40)21-11-12-24(38)37(21)23-10-4-9-22(30)35-23/h1-10,13,17,21,25H,11-12,14-15H2,(H,34,39)/t21-,25+/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)


BindingDB Entry DOI: 10.7270/Q24J0J8K
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%