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Patent code US9850277

Compile Data Set for Download or QSAR

Found 402 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 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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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))
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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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))
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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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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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))
BDBM363574
PNG
(US9850277, 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=1/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+/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))
BDBM363586
PNG
(US9850277, Compound 78)
Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1/C30H25ClF3N5O4/c31-23-7-2-1-6-22(23)26(27(40)37-20-8-11-30(33,34)12-9-20)38(21-5-3-4-19(32)15-21)28(41)24-17-43-29(42)39(24)25-14-18(16-35)10-13-36-25/h1-7,10,13-15,20,24,26H,8-9,11-12,17H2,(H,37,40)/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))
BDBM363591
PNG
(US9850277, 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
Show InChI InChI=1/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-/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))
BDBM363596
PNG
(US9850277, 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=1/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-/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))
BDBM363602
PNG
(US9850277, Compound 93)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](N(C(=O)C1)c1nccc(n1)C#N)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1/C35H34ClF4N7O5/c1-34(2,3)52-33(51)45-18-27(47(28(48)19-45)32-42-13-10-23(17-41)44-32)31(50)46(24-15-20(37)14-21(38)16-24)29(25-6-4-5-7-26(25)36)30(49)43-22-8-11-35(39,40)12-9-22/h4-7,10,13-16,22,27,29H,8-9,11-12,18-19H2,1-3H3,(H,43,49)/t27-,29-/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))
BDBM363608
PNG
(US9850277, Compound 97)
Show SMILES CC(C)(C)OC(=O)N1C[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
Show InChI InChI=1/C34H31ClF4N6O5/c1-33(2,3)50-32(49)43-17-26(45(28(46)18-43)27-10-19(16-40)8-9-41-27)31(48)44(23-12-20(36)11-21(37)13-23)29(24-6-4-5-7-25(24)35)30(47)42-22-14-34(38,39)15-22/h4-13,22,26,29H,14-15,17-18H2,1-3H3,(H,42,47)/t26-,29-/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))
BDBM363609
PNG
(US9850277, Compound 98)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](N(C(=O)C1)c1nccc(n1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cc(F)cc(F)c1
Show InChI InChI=1/C33H30ClF4N7O5/c1-32(2,3)50-31(49)43-16-25(45(26(46)17-43)30-40-9-8-20(15-39)42-30)29(48)44(22-11-18(35)10-19(36)12-22)27(23-6-4-5-7-24(23)34)28(47)41-21-13-33(37,38)14-21/h4-12,21,25,27H,13-14,16-17H2,1-3H3,(H,41,47)/t25-,27-/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))
BDBM363610
PNG
(US9850277, Compound 99)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CNCC(=O)N1c1nccc(n1)C#N
Show InChI InChI=1/C28H22ClF4N7O3/c29-21-4-2-1-3-20(21)24(25(42)37-18-10-28(32,33)11-18)39(19-8-15(30)7-16(31)9-19)26(43)22-13-35-14-23(41)40(22)27-36-6-5-17(12-34)38-27/h1-9,18,22,24,35H,10-11,13-14H2,(H,37,42)/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))
BDBM363611
PNG
(US9850277, Compound 100)
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=1/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-/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))
BDBM363613
PNG
(US9850277, Compound 102)
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
Show InChI InChI=1/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-/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))
BDBM363615
PNG
(US9850277, Compound 104)
Show SMILES CCOC(=O)CN1C[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
Show InChI InChI=1/C33H29ClF4N6O5/c1-2-49-29(46)18-42-16-26(44(28(45)17-42)27-9-19(15-39)7-8-40-27)32(48)43(23-11-20(35)10-21(36)12-23)30(24-5-3-4-6-25(24)34)31(47)41-22-13-33(37,38)14-22/h3-12,22,26,30H,2,13-14,16-18H2,1H3,(H,41,47)/t26-,30-/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))
BDBM363622
PNG
(US9850277, Compound 111)
Show SMILES CCOC(=O)CN1C[C@H](N(C1=O)c1nccc(n1)C#N)C(=O)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
Show InChI InChI=1/C31H27ClF3N7O5/c1-2-47-25(43)17-40-16-24(42(30(40)46)29-37-11-10-19(15-36)39-29)28(45)41(21-7-5-6-18(33)12-21)26(22-8-3-4-9-23(22)32)27(44)38-20-13-31(34,35)14-20/h3-12,20,24,26H,2,13-14,16-17H2,1H3,(H,38,44)/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))
BDBM363624
PNG
(US9850277, Compound 113)
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)c1cccc(F)c1
Show InChI InChI=1/C29H23ClF3N5O4/c30-21-7-2-1-6-20(21)25(26(40)36-18-13-29(32,33)14-18)37(19-5-3-4-17(31)11-19)27(41)22-12-23(39)28(42)38(22)24-10-16(15-34)8-9-35-24/h1-11,18,22-23,25,39H,12-14H2,(H,36,40)/t22-,23+,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))
BDBM363625
PNG
(US9850277, Compound 114)
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
Show InChI InChI=1/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+/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))
BDBM363628
PNG
(US9850277, Compound 117)
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=1/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-/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))
BDBM363635
PNG
(US9850277, Compound 123)
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)c1cccc(F)c1
Show InChI InChI=1/C30H26ClF3N6O4/c31-22-7-2-1-6-21(22)25(26(42)37-18-8-11-30(33,34)12-9-18)39(20-5-3-4-17(32)14-20)27(43)23-15-24(41)28(44)40(23)29-36-13-10-19(16-35)38-29/h1-7,10,13-14,18,23-25,41H,8-9,11-12,15H2,(H,37,42)/t23-,24+,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))
BDBM363638
PNG
(US9850277, Compound 125)
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
Show InChI InChI=1/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-/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))
BDBM363639
PNG
(US9850277, Compound 126)
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
Show InChI InChI=1/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+/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))
BDBM363642
PNG
(US9850277, Compound 129)
Show SMILES COc1cccc(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/C30H26ClF2N5O4/c1-42-21-6-4-5-20(14-21)37(29(41)24-9-10-26(39)38(24)25-13-18(17-34)11-12-35-25)27(22-7-2-3-8-23(22)31)28(40)36-19-15-30(32,33)16-19/h2-8,11-14,19,24,27H,9-10,15-16H2,1H3,(H,36,40)/t24-,27-/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))
BDBM363643
PNG
(US9850277, Compound 130)
Show SMILES OCCOc1cccc(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/C31H28ClF2N5O5/c32-24-7-2-1-6-23(24)28(29(42)37-20-16-31(33,34)17-20)38(21-4-3-5-22(15-21)44-13-12-40)30(43)25-8-9-27(41)39(25)26-14-19(18-35)10-11-36-26/h1-7,10-11,14-15,20,25,28,40H,8-9,12-13,16-17H2,(H,37,42)/t25-,28-/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))
BDBM363644
PNG
(US9850277, Compound 131)
Show SMILES OCc1cccc(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/C30H26ClF2N5O4/c31-23-7-2-1-6-22(23)27(28(41)36-20-14-30(32,33)15-20)37(21-5-3-4-19(12-21)17-39)29(42)24-8-9-26(40)38(24)25-13-18(16-34)10-11-35-25/h1-7,10-13,20,24,27,39H,8-9,14-15,17H2,(H,36,41)/t24-,27-/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))
BDBM363646
PNG
(US9850277, Compound 133)
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
Show InChI InChI=1/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-/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))
BDBM363649
PNG
(US9850277, Compound 136)
Show SMILES Fc1cc(cc2cn[nH]c12)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1/C32H27ClF3N7O3/c33-23-4-2-1-3-22(23)29(30(45)40-20-7-10-32(35,36)11-8-20)42(21-14-19-17-39-41-28(19)24(34)15-21)31(46)25-5-6-27(44)43(25)26-13-18(16-37)9-12-38-26/h1-4,9,12-15,17,20,25,29H,5-8,10-11H2,(H,39,41)(H,40,45)/t25-,29-/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))
BDBM363655
PNG
(US9850277, Compound 142)
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
Show InChI InChI=1/C32H28ClF2N7O3/c33-23-6-2-1-5-22(23)29(30(44)39-21-10-13-32(34,35)14-11-21)42(24-7-3-4-20-18-38-40-28(20)24)31(45)25-8-9-27(43)41(25)26-16-19(17-36)12-15-37-26/h1-7,12,15-16,18,21,25,29H,8-11,13-14H2,(H,38,40)(H,39,44)/t25-,29-/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))
BDBM363656
PNG
(US9850277, Compound 143)
Show SMILES Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1/C28H22ClF3N6O4/c29-21-4-2-1-3-20(21)24(25(39)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)26(40)22-6-8-42-27(41)38(22)23-9-16(13-33)5-7-35-23/h1-5,7,9-10,14-15,18,22,24H,6,8,11-12H2,(H,36,39)/t22-,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
IDH1 R132H


(Homo sapiens (Human))
BDBM363657
PNG
(US9850277, Compound 144)
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
Show InChI InChI=1/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-/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))
BDBM363667
PNG
(US9850277, Compound 154)
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
Show InChI InChI=1/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-/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))
BDBM363675
PNG
(US9850277, Compound 162)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1ncc(o1)C#N
Show InChI InChI=1/C27H20ClF4N5O4/c28-20-4-2-1-3-19(20)23(24(39)35-16-10-27(31,32)11-16)36(17-8-14(29)7-15(30)9-17)25(40)21-5-6-22(38)37(21)26-34-13-18(12-33)41-26/h1-4,7-9,13,16,21,23H,5-6,10-11H2,(H,35,39)/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))
BDBM363579
PNG
(US9850277, Compound 163 | US9850277, Compound 71)
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
Show InChI InChI=1/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-/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))
BDBM363689
PNG
(US9850277, Compound 176)
Show SMILES Fc1cncc(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/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/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))
BDBM363690
PNG
(US9850277, Compound 177)
Show SMILES Fc1cc(cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)C#N
Show InChI InChI=1/C30H22ClF3N6O3/c31-23-4-2-1-3-22(23)27(28(42)38-20-13-30(33,34)14-20)39(21-10-18(16-36)9-19(32)12-21)29(43)24-5-6-26(41)40(24)25-11-17(15-35)7-8-37-25/h1-4,7-12,20,24,27H,5-6,13-14H2,(H,38,42)/t24-,27-/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))
BDBM363697
PNG
(US9850277, Compound 184)
Show SMILES Fc1cc(cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)C#N
Show InChI InChI=1/C32H26ClF3N6O3/c33-25-4-2-1-3-24(25)29(30(44)40-22-7-10-32(35,36)11-8-22)41(23-14-20(18-38)13-21(34)16-23)31(45)26-5-6-28(43)42(26)27-15-19(17-37)9-12-39-27/h1-4,9,12-16,22,26,29H,5-8,10-11H2,(H,40,44)/t26-,29-/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))
BDBM363712
PNG
(US9850277, Compound 199)
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
Show InChI InChI=1/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-/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))
BDBM363717
PNG
(US9850277, Compound 204)
Show SMILES Fc1cc(cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)C1CC1
Show InChI InChI=1/C32H27ClF3N5O3/c33-25-4-2-1-3-24(25)29(30(43)39-22-15-32(35,36)16-22)40(23-13-20(19-5-6-19)12-21(34)14-23)31(44)26-7-8-28(42)41(26)27-11-18(17-37)9-10-38-27/h1-4,9-14,19,22,26,29H,5-8,15-16H2,(H,39,43)/t26-,29-/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))
BDBM363719
PNG
(US9850277, Compound 206)
Show SMILES FC1(F)CC(C1)NC(=O)[C@@H](N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1ccc2[nH]ccc2c1)c1ccccc1Cl
Show InChI InChI=1/C31H25ClF2N6O3/c32-23-4-2-1-3-22(23)28(29(42)38-20-15-31(33,34)16-20)39(21-5-6-24-19(14-21)10-12-36-24)30(43)25-7-8-27(41)40(25)26-13-18(17-35)9-11-37-26/h1-6,9-14,20,25,28,36H,7-8,15-16H2,(H,38,42)/t25-,28-/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))
BDBM363721
PNG
(US9850277, Compound 208)
Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1F)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1/C29H22F5N5O3/c30-17-10-18(31)12-20(11-17)38(28(42)23-5-6-25(40)39(23)24-9-16(15-35)7-8-36-24)26(21-3-1-2-4-22(21)32)27(41)37-19-13-29(33,34)14-19/h1-4,7-12,19,23,26H,5-6,13-14H2,(H,37,41)/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))
BDBM363722
PNG
(US9850277, Compound 209)
Show SMILES Cn1ccc2cc(ccc12)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
Show InChI InChI=1/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?/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 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 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))
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 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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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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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))
BDBM363563
PNG
(US9850277, 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=1/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-/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
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* indicates data uncertainty>20%