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Compile Data Set for Download or QSAR

Found 402 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2381   
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 R132C


(Homo sapiens (Human))
BDBM363504
PNG
(US9850277, Compound 1)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1/C27H23ClF3N5O3/c28-20-8-2-1-7-19(20)23(24(38)34-17-14-27(30,31)15-17)35(18-6-3-5-16(29)13-18)25(39)21-9-10-22(37)36(21)26-32-11-4-12-33-26/h1-8,11-13,17,21,23H,9-10,14-15H2,(H,34,38)/t21-,23-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363504
PNG
(US9850277, Compound 1)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1/C27H23ClF3N5O3/c28-20-8-2-1-7-19(20)23(24(38)34-17-14-27(30,31)15-17)35(18-6-3-5-16(29)13-18)25(39)21-9-10-22(37)36(21)26-32-11-4-12-33-26/h1-8,11-13,17,21,23H,9-10,14-15H2,(H,34,38)/t21-,23-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363511
PNG
(US9850277, Compound 4)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)C1CCC(=O)N1c1ncccn1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363511
PNG
(US9850277, Compound 4)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)C1CCC(=O)N1c1ncccn1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363512
PNG
(US9850277, Compound 5)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccccn1
Show InChI InChI=1/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?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363512
PNG
(US9850277, Compound 5)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccccn1
Show InChI InChI=1/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?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363513
PNG
(US9850277, Compound 6)
Show SMILES Fc1cccc(c1)N([C@@H](C(=O)NC1CCCCC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1/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+/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363514
PNG
(US9850277, Compound 7)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCCCC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363514
PNG
(US9850277, Compound 7)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCCCC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccn1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363516
PNG
(US9850277, Compound 9)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1ncccn1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363516
PNG
(US9850277, Compound 9)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1ncccn1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363520
PNG
(US9850277, Compound 12)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncccc1F
Show InChI InChI=1/C28H23ClF4N4O3/c29-20-8-2-1-7-19(20)24(26(39)35-17-14-28(32,33)15-17)36(18-6-3-5-16(30)13-18)27(40)22-10-11-23(38)37(22)25-21(31)9-4-12-34-25/h1-9,12-13,17,22,24H,10-11,14-15H2,(H,35,39)/t22-,24?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363522
PNG
(US9850277, Compound 14)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccs1
Show InChI InChI=1/C26H22ClF3N4O3S/c27-19-7-2-1-6-18(19)22(23(36)32-16-13-26(29,30)14-16)33(17-5-3-4-15(28)12-17)24(37)20-8-9-21(35)34(20)25-31-10-11-38-25/h1-7,10-12,16,20,22H,8-9,13-14H2,(H,32,36)/t20-,22-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363522
PNG
(US9850277, Compound 14)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccs1
Show InChI InChI=1/C26H22ClF3N4O3S/c27-19-7-2-1-6-18(19)22(23(36)32-16-13-26(29,30)14-16)33(17-5-3-4-15(28)12-17)24(37)20-8-9-21(35)34(20)25-31-10-11-38-25/h1-7,10-12,16,20,22H,8-9,13-14H2,(H,32,36)/t20-,22-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363523
PNG
(US9850277, Compound 15)
Show SMILES Cc1cccnc1N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363523
PNG
(US9850277, Compound 15)
Show SMILES Cc1cccnc1N1[C@@H](CCC1=O)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363526
PNG
(US9850277, Compound 18)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cnccn1
Show InChI InChI=1/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?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363526
PNG
(US9850277, Compound 18)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cnccn1
Show InChI InChI=1/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?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363528
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363528
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363529
PNG
(US9850277, 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=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363529
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363531
PNG
(US9850277, Compound 23)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccccc1
Show InChI InChI=1/C29H25ClF3N3O3/c30-23-12-5-4-11-22(23)26(27(38)34-19-16-29(32,33)17-19)36(21-10-6-7-18(31)15-21)28(39)24-13-14-25(37)35(24)20-8-2-1-3-9-20/h1-12,15,19,24,26H,13-14,16-17H2,(H,34,38)/t24-,26?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363534
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363535
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363535
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363536
PNG
(US9850277, 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
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363537
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363537
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363538
PNG
(US9850277, 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=1/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?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363538
PNG
(US9850277, 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=1/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?/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363539
PNG
(US9850277, 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=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363541
PNG
(US9850277, 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
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363541
PNG
(US9850277, 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
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363542
PNG
(US9850277, 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
Show InChI InChI=1/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+/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363543
PNG
(US9850277, Compound 35)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cccc(Cl)n1
Show InChI InChI=1/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-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363545
PNG
(US9850277, Compound 37 | US9850277, Compound 64)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1/C29H23ClF3N5O3/c30-22-7-2-1-6-21(22)26(27(40)36-19-14-29(32,33)15-19)37(20-5-3-4-18(31)13-20)28(41)23-8-9-25(39)38(23)24-12-17(16-34)10-11-35-24/h1-7,10-13,19,23,26H,8-9,14-15H2,(H,36,40)/t23-,26-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363545
PNG
(US9850277, Compound 37 | US9850277, Compound 64)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1/C29H23ClF3N5O3/c30-22-7-2-1-6-21(22)26(27(40)36-19-14-29(32,33)15-19)37(20-5-3-4-18(31)13-20)28(41)23-8-9-25(39)38(23)24-12-17(16-34)10-11-35-24/h1-7,10-13,19,23,26H,8-9,14-15H2,(H,36,40)/t23-,26-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363548
PNG
(US9850277, Compound 40)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C29H23ClF6N4O3/c30-21-7-2-1-6-20(21)25(26(42)38-18-14-28(32,33)15-18)39(19-5-3-4-17(31)13-19)27(43)22-8-9-24(41)40(22)23-12-16(10-11-37-23)29(34,35)36/h1-7,10-13,18,22,25H,8-9,14-15H2,(H,38,42)/t22-,25-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363548
PNG
(US9850277, Compound 40)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C29H23ClF6N4O3/c30-21-7-2-1-6-20(21)25(26(42)38-18-14-28(32,33)15-18)39(19-5-3-4-17(31)13-19)27(43)22-8-9-24(41)40(22)23-12-16(10-11-37-23)29(34,35)36/h1-7,10-13,18,22,25H,8-9,14-15H2,(H,38,42)/t22-,25-/s2
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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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363549
PNG
(US9850277, 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
Show InChI InChI=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363551
PNG
(US9850277, 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=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363551
PNG
(US9850277, 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=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363553
PNG
(US9850277, 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=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363553
PNG
(US9850277, 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=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363556
PNG
(US9850277, 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
Show InChI InChI=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363556
PNG
(US9850277, 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
Show InChI InChI=1/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-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363557
PNG
(US9850277, Compound 48)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccc(Cl)cn1
Show InChI InChI=1/C28H23Cl2F3N4O3/c29-16-8-10-23(34-15-16)37-22(9-11-24(37)38)27(40)36(19-5-3-4-17(31)12-19)25(20-6-1-2-7-21(20)30)26(39)35-18-13-28(32,33)14-18/h1-8,10,12,15,18,22,25H,9,11,13-14H2,(H,35,39)/t22-,25-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM363557
PNG
(US9850277, Compound 48)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ccc(Cl)cn1
Show InChI InChI=1/C28H23Cl2F3N4O3/c29-16-8-10-23(34-15-16)37-22(9-11-24(37)38)27(40)36(19-5-3-4-17(31)12-19)25(20-6-1-2-7-21(20)30)26(39)35-18-13-28(32,33)14-18/h1-8,10,12,15,18,22,25H,9,11,13-14H2,(H,35,39)/t22-,25-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM363558
PNG
(US9850277, Compound 49)
Show SMILES FC1CC(C1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1ncccn1)c1cccc(F)c1)c1ccccc1Cl
Show InChI InChI=1/C27H24ClF2N5O3/c28-21-8-2-1-7-20(21)24(25(37)33-18-13-17(30)14-18)34(19-6-3-5-16(29)15-19)26(38)22-9-10-23(36)35(22)27-31-11-4-12-32-27/h1-8,11-12,15,17-18,22,24H,9-10,13-14H2,(H,33,37)/t17?,18?,22-,24-/s2
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n/an/a<500n/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 US9850277 (2017)

More data for this
Ligand-Target Pair
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