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Compile Data Set for Download or QSAR

Found 19 hits of ph data with Target = 'idh r132c nadph/ nadp'   
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
idh r132c nadph/ nadp


()
BDBM280192
PNG
(US10028961, Compound 350)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C21H18F5N9/c22-20(23)4-1-13(10-20)30-17-31-16(29-12-2-7-28-15(9-12)19(11-27)5-6-19)32-18(33-17)35-8-3-14(34-35)21(24,25)26/h2-3,7-9,13H,1,4-6,10H2,(H2,28,29,30,31,32,33)/t13-/m1/s1
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n/an/a 75n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280037
PNG
(US10028961, Compound 190 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C19H13F8N7/c20-17(21)7-10(8-17)30-16-33-14(11-2-1-3-12(31-11)18(22,23)24)32-15(34-16)29-9-4-5-28-13(6-9)19(25,26)27/h1-6,10H,7-8H2,(H2,28,29,30,32,33,34)
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n/an/a>1.00E+3n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280233
PNG
(US10028961, Compound 391 | US10172864, Compound 39...)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C19H14F8N8/c20-17(21)3-1-10(6-17)31-16-34-14(11-7-28-8-13(32-11)19(25,26)27)33-15(35-16)30-9-2-4-29-12(5-9)18(22,23)24/h2,4-5,7-8,10H,1,3,6H2,(H2,29,30,31,33,34,35)/t10-/m0/s1
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280235
PNG
(US10028961, Compound 393 | US10172864, Compound 39...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C18H14F8N8/c19-16(20)4-1-10(8-16)29-14-30-13(28-9-2-5-27-12(7-9)18(24,25)26)31-15(32-14)34-6-3-11(33-34)17(21,22)23/h2-3,5-7,10H,1,4,8H2,(H2,27,28,29,30,31,32)/t10-/m0/s1
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280241
PNG
(US10028961, Compound 400 | US10172864, Compound 40...)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N8/c1-7(14(17,18)19)27-11-29-12(28-8-2-4-26-10(6-8)16(23,24)25)31-13(30-11)33-5-3-9(32-33)15(20,21)22/h2-7H,1H3,(H2,26,27,28,29,30,31)/t7-/m1/s1
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280242
PNG
(US10028961, Compound 401)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C21H16F5N9/c22-20(23)6-12(7-20)31-18-34-16(13-8-28-9-15(32-13)21(24,25)26)33-17(35-18)30-11-1-4-29-14(5-11)19(10-27)2-3-19/h1,4-5,8-9,12H,2-3,6-7H2,(H2,29,30,31,33,34,35)
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280251
PNG
(US10028961, Compound 410 | US10172864, Compound 41...)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(N[C@@H]2CCC(F)(F)C2)n1
Show InChI InChI=1S/C18H18F7N7/c19-16(20)3-1-9(5-16)27-14-30-13(11-7-26-8-12(29-11)18(23,24)25)31-15(32-14)28-10-2-4-17(21,22)6-10/h7-10H,1-6H2,(H2,27,28,30,31,32)/t9-,10-/m1/s1
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n/an/a<50n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280255
PNG
(US10028961, Compound 414 | US10172864, Compound 41...)
Show SMILES C[C@@H](Nc1cc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C20H24F3N5/c1-11(13-6-7-13)24-17-10-18(25-12(2)14-8-9-14)28-19(27-17)15-4-3-5-16(26-15)20(21,22)23/h3-5,10-14H,6-9H2,1-2H3,(H2,24,25,27,28)/t11-,12-/m1/s1
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM279948
PNG
(US10028961, Compound 101 | US10172864, Compound 10...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM279953
PNG
(US10028961, Compound 106 | US10172864, Compound 10...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-n2ccc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C17H12F7N7/c18-8-3-9(19)5-10(4-8)25-13-27-14(26-11-6-16(20,21)7-11)29-15(28-13)31-2-1-12(30-31)17(22,23)24/h1-5,11H,6-7H2,(H2,25,26,27,28,29)
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n/an/a<50n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM279980
PNG
(US10028961, Compound 133 | US10172864, Compound 13...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C23H19F5N8/c24-22(25)6-4-14(11-22)32-20-35-18(15-2-1-3-16(33-15)23(26,27)28)34-19(36-20)31-13-5-9-30-17(10-13)21(12-29)7-8-21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,30,31,32,34,35,36)/t14-/m0/s1
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM279984
PNG
(US10028961, Compound 137 | US10172864, Compound 13...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show InChI InChI=1S/C23H19F5N8/c24-22(25)6-4-14(11-22)32-20-35-18(15-2-1-3-16(33-15)23(26,27)28)34-19(36-20)31-13-5-9-30-17(10-13)21(12-29)7-8-21/h1-3,5,9-10,14H,4,6-8,11H2,(H2,30,31,32,34,35,36)/t14-/m1/s1
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280005
PNG
(US10028961, Compound 158 | US10172864, Compound 15...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C20H15F8N7/c21-18(22)6-4-11(9-18)31-17-34-15(12-2-1-3-13(32-12)19(23,24)25)33-16(35-17)30-10-5-7-29-14(8-10)20(26,27)28/h1-3,5,7-8,11H,4,6,9H2,(H2,29,30,31,33,34,35)/t11-/m0/s1
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280007
PNG
(US10028961, Compound 160 | US10172864, Compound 16...)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H22F7N7/c21-18(22)5-1-11(2-6-18)29-16-32-15(13-9-28-10-14(31-13)20(25,26)27)33-17(34-16)30-12-3-7-19(23,24)8-4-12/h9-12H,1-8H2,(H2,29,30,32,33,34)
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280008
PNG
(US10028961, Compound 161 | US10172864, Compound 16...)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
Show InChI InChI=1S/C16H14F7N7/c17-14(18)1-7(2-14)25-12-28-11(9-5-24-6-10(27-9)16(21,22)23)29-13(30-12)26-8-3-15(19,20)4-8/h5-8H,1-4H2,(H2,25,26,28,29,30)
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n/an/a 75n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280015
PNG
(US10028961, Compound 168 | US10172864, Compound 16...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C22H17F5N8/c1-28-20(6-7-20)16-9-12(5-8-29-16)30-18-33-17(14-3-2-4-15(32-14)22(25,26)27)34-19(35-18)31-13-10-21(23,24)11-13/h2-5,8-9,13H,6-7,10-11H2,(H2,29,30,31,33,34,35)
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n/an/a 75n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280021
PNG
(US10028961, Compound 174 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(N[C@H]2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C21H18F5N9/c1-27-19(6-7-19)15-10-12(3-8-28-15)29-16-31-17(30-13-2-5-20(22,23)11-13)33-18(32-16)35-9-4-14(34-35)21(24,25)26/h3-4,8-10,13H,2,5-7,11H2,(H2,28,29,30,31,32,33)/t13-/m0/s1
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n/an/a 75n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280036
PNG
(US10028961, Compound 189 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
Show InChI InChI=1S/C24H21F5N8/c1-30-22(10-11-22)18-13-15(7-12-31-18)33-21-36-19(16-3-2-4-17(34-16)24(27,28)29)35-20(37-21)32-14-5-8-23(25,26)9-6-14/h2-4,7,12-14H,5-6,8-11H2,(H2,31,32,33,35,36,37)
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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 US10028961 (2018)

More data for this
Ligand-Target Pair
idh r132c nadph/ nadp


()
BDBM280231
PNG
(US10028961, Compound 389 | US10172864, Compound 38...)
Show SMILES FC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C20H16F8N8/c21-18(22)4-1-10(2-5-18)31-16-34-15(12-8-29-9-14(33-12)20(26,27)28)35-17(36-16)32-11-3-6-30-13(7-11)19(23,24)25/h3,6-10H,1-2,4-5H2,(H2,30,31,32,34,35,36)
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n/an/a 550n/an/an/an/a7.525



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 US10028961 (2018)

More data for this
Ligand-Target Pair