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Compile Data Set for Download or QSAR

Found 614 hits Enz. Inhib. hit(s) with Target = 'IDH1 R132C'   
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))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 3.80n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132C


(Homo sapiens (Human))
BDBM228659
PNG
((+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophe...)
Show SMILES Cc1ccccc1[C@@H](N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36)/t28-/s2
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n/an/a 30n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The activity of IDH1 R132H and IDH1 R132C was measured in 384-well plates by coupling NADPH consumption to a diaphorase/resazurin-based detection sys...


J Biol Chem 289: 13717-25 (2014)


Article DOI: 10.1074/jbc.M113.511030
BindingDB Entry DOI: 10.7270/Q2513X35
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM278540
PNG
( (2E)-3-(3-Methyl-1-{[5-(3-methyloxetan-3-yl)-3-(2...)
Show SMILES Cc1cn(C(=O)c2c(noc2C2(C)COC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(3.32,.91,;1.98,.14,;.52,.62,;-.39,-.63,;-1.93,-.63,;-2.57,-1.74,;-2.7,.7,;-4.24,.7,;-4.71,2.17,;-3.47,3.07,;-2.22,2.17,;-.89,2.94,;.45,2.17,;.2,4.03,;-.89,5.12,;-1.98,4.03,;-5.28,-1.12,;-6.82,-1.12,;-7.59,.22,;-7.59,-2.45,;-6.82,-3.78,;-7.59,-5.12,;-5.28,-3.78,;-4.51,-2.45,;-2.97,-2.45,;.52,-1.87,;.2,-3.38,;1.34,-4.41,;2.81,-3.94,;3.13,-2.43,;4.61,-2.03,;5.01,-.54,;6.5,-.14,;7.59,-1.23,;6.9,1.34,;1.98,-1.4,)|
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n/an/a 47n/an/an/an/a7.525



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent




US Patent US10040791 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SF8
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279884
PNG
(US10028961, Compound 31 | US10172864, Compound 31)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10172864 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280115
PNG
(US10028961, Compound 268 | US10172864, Compound 26...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1nccc(n1)C(F)(F)F)C1CC1 |r|
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279884
PNG
(US10028961, Compound 31 | US10172864, Compound 31)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
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n/an/a<50n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279905
PNG
(US10028961, Compound 52 | US10172864, Compound 52)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCOC2)nc(NC2CCC(F)(F)C2)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279909
PNG
(US10028961, Compound 56 | US10172864, Compound 56)
Show SMILES CS(=O)(=O)N1CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279911
PNG
(US10028961, Compound 58 | US10172864, Compound 58)
Show SMILES C[C@@H](Nc1nc(NC2CC3(C2)CC(F)(F)C3)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r|
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
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 |r|
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132C


(Homo sapiens (Human))
BDBM279952
PNG
(US10028961, Compound 105 | US10172864, Compound 10...)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279957
PNG
(US10028961, Compound 110 | US10172864, Compound 11...)
Show SMILES CCC(Nc1nc(NC(CC)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279960
PNG
(US10028961, Compound 113 | US10172864, Compound 11...)
Show SMILES FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(Cl)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279962
PNG
(US10028961, Compound 115 | US10172864, Compound 11...)
Show SMILES FC(F)(F)c1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(Cl)n2)ccn1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279964
PNG
(US10028961, Compound 117 | US10172864, Compound 11...)
Show SMILES CC(C)(C)Nc1nc(Nc2cccc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279968
PNG
(US10028961, Compound 121 | US10172864, Compound 12...)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-n1ccc(n1)C(F)(F)F)C1CC1 |r|
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279970
PNG
(US10028961, Compound 123 | US10172864, Compound 12...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)c1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279971
PNG
(US10028961, Compound 124 | US10172864, Compound 12...)
Show SMILES Fc1cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)cc(c1)C#N
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279972
PNG
(US10028961, Compound 125 | US10172864, Compound 12...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cccc(n2)C(F)(F)F)c1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279973
PNG
(US10028961, Compound 126 | US10172864, Compound 12...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279974
PNG
(US10028961, Compound 127 | US10172864, Compound 12...)
Show SMILES FC1(F)CCC(C1)Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(Cl)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279975
PNG
(US10028961, Compound 128 | US10172864, Compound 12...)
Show SMILES FC(F)(F)c1csc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279977
PNG
(US10028961, Compound 130 | US10172864, Compound 13...)
Show SMILES CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132C


(Homo sapiens (Human))
BDBM279978
PNG
(US10028961, Compound 131 | US10172864, Compound 13...)
Show SMILES Clc1cccc(n1)-c1nc(NC(C2CC2)C2CC2)nc(NC(C2CC2)C2CC2)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279981
PNG
(US10028961, Compound 134 | US10172864, Compound 13...)
Show SMILES CC(Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279983
PNG
(US10028961, Compound 136 | US10172864, Compound 13...)
Show SMILES C[C@@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |r|
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279989
PNG
(US10028961, Compound 142 | US10172864, Compound 14...)
Show SMILES C[C@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |r|
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279992
PNG
(US10028961, Compound 145 | US10172864, Compound 14...)
Show SMILES FC(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
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Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279993
PNG
(US10028961, Compound 146 | US10172864, Compound 14...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279994
PNG
(US10028961, Compound 147 | US10172864, Compound 14...)
Show SMILES FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cncc(Cl)n1
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279996
PNG
(US10028961, Compound 149 | US10172864, Compound 14...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279998
PNG
(US10028961, Compound 151 | US10172864, Compound 15...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279999
PNG
(US10028961, Compound 152 | US10172864, Compound 15...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2Cc3ccccc3C2)n1
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280009
PNG
(US10028961, Compound 162 | US10172864, Compound 16...)
Show SMILES CC(C)(C)Nc1nc(Nc2ccnc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
PDB

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Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280011
PNG
(US10028961, Compound 164 | US10172864, Compound 16...)
Show SMILES Fc1cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cccc(n2)C(F)(F)F)cc(c1)C#N
PDB

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US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280014
PNG
(US10028961, Compound 167 | US10172864, Compound 16...)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-c1cccc(Cl)n1)C1CC1 |r|
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280017
PNG
(US10028961, Compound 170 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1nc(cs1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
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 |r|
PDB

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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10172864 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132C


(Homo sapiens (Human))
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
PDB

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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10172864 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279855
PNG
(US10028961, Compound 2 | US10172864, Compound 2)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r|
PDB

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n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10172864 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM279855
PNG
(US10028961, Compound 2 | US10172864, Compound 2)
Show SMILES C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r|
PDB

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n/an/a<50n/an/an/an/a7.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280023
PNG
(US10028961, Compound 176 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1ccn(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
PDB

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US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280025
PNG
(US10028961, Compound 178 | US10172864, Compound 17...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C(F)(F)F)n1
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280028
PNG
(US10028961, Compound 181 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C#N)n1
PDB

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n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280029
PNG
(US10028961, Compound 182 | US10172864, Compound 18...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2Cc3ccc(Cl)cc3C2)n1
PDB

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US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280034
PNG
(US10028961, Compound 187 | US10172864, Compound 18...)
Show SMILES CC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
PDB

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US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
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
PDB

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US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280038
PNG
(US10028961, Compound 191 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(NC2CCC(F)(F)C2)n1
PDB

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US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280039
PNG
(US10028961, Compound 192 | US10172864, Compound 19...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
PDB

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UniChem
US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM280040
PNG
(US10028961, Compound 193 | US10172864, Compound 19...)
Show SMILES C[C@@H](Nc1nc(NC(C2CC2)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r|
PDB

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US Patent
n/an/a<50n/an/an/an/a6.525



Agios Pharmaceuticals, Inc.

US Patent




US Patent US10028961 (2018)


BindingDB Entry DOI: 10.7270/Q2ZW1NXM
More data for this
Ligand-Target Pair
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