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Patent code US10253015

Compile Data Set for Download or QSAR
Found 169 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375144
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-4)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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n/an/a<10n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375223
PNG
(6-{[(6-chloro-7-methoxy-2-oxo-1,2- | US10253015, C...)
Show SMILES COc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(C)n3)cc2cc1Cl
Show InChI InChI=1S/C18H15ClN4O2/c1-10-11(8-20)3-4-17(22-10)21-9-13-5-12-6-14(19)16(25-2)7-15(12)23-18(13)24/h3-7H,9H2,1-2H3,(H,21,22)(H,23,24)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375147
PNG
(5-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-7)
Show SMILES COc1nc(ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O)C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375150
PNG
(6-chloro-3-[(1S)-1-{[4-(2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1cc(ccn1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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n/an/a<10n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375166
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(OC)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375166
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(OC)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375168
PNG
(6-{[(1S)-1-[6-chloro-2-oxo- | US10253015, Compound...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375168
PNG
(6-{[(1S)-1-[6-chloro-2-oxo- | US10253015, Compound...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375198
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375162
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375166
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(OC)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375165
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)ncc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375165
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)ncc1C#N |r|
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n/an/a<10n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375154
PNG
(6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375163
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(C)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375164
PNG
(6-{[1-(6-chloro-7-methoxy- | US10253015, Compound ...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)C(C)Nc1ccc(C#N)c(C)n1
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375174
PNG
(N-(2-{[(1S)-1-(6-chloro-2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375167
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1cc(C)c(cn1)C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375225
PNG
(6-[({6-chloro-7-[2-(4- | US10253015, Compound I-85)
Show SMILES Cc1nc(NCc2cc3cc(Cl)c(OCCN4CCN(CC4)S(C)(=O)=O)cc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C24H27ClN6O4S/c1-16-17(14-26)3-4-23(28-16)27-15-19-11-18-12-20(25)22(13-21(18)29-24(19)32)35-10-9-30-5-7-31(8-6-30)36(2,33)34/h3-4,11-13H,5-10,15H2,1-2H3,(H,27,28)(H,29,32)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375201
PNG
(5-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES COc1nc(ccc1NCc1cc2cc(Cl)ccc2[nH]c1=O)C#N
Show InChI InChI=1S/C17H13ClN4O2/c1-24-17-15(5-3-13(8-19)21-17)20-9-11-6-10-7-12(18)2-4-14(10)22-16(11)23/h2-7,20H,9H2,1H3,(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375141
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-1)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375145
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-5)
Show SMILES C[C@H](Nc1cc(C)c(cn1)C#N)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375151
PNG
(6-chloro-3-[(1S)-1-{[6-(2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1cccc(n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375161
PNG
(6-{[1-(6-chloro-7-fluoro-2- | US10253015, Compound...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375163
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(C)n1 |r|
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n/an/a<10n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375167
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1cc(C)c(cn1)C#N |r|
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n/an/a<10n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375168
PNG
(6-{[(1S)-1-[6-chloro-2-oxo- | US10253015, Compound...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375169
PNG
(6-({1-[6-chloro-2-oxo-7- | US10253015, Compound I-...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375162
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375170
PNG
(6-[(1-{6-chloro-7-[(3,3- | US10253015, Compound I-...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCC3CC(F)(F)C3)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375146
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375152
PNG
(6-chloro-3-[(1S)-1-{[6- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1cc(cc(C)n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375164
PNG
(6-{[1-(6-chloro-7-methoxy- | US10253015, Compound ...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)C(C)Nc1ccc(C#N)c(C)n1
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375172
PNG
(6-{[2-(6-chloro-2-oxo-1,2- | US10253015, Compound ...)
Show SMILES Cc1nc(NC(C)(C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C19H17ClN4O/c1-11-12(10-21)4-7-17(22-11)24-19(2,3)15-9-13-8-14(20)5-6-16(13)23-18(15)25/h4-9H,1-3H3,(H,22,24)(H,23,25)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375180
PNG
(6-chloro-3-[(1S)-1-{[4-(1,5-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cnn(C)c1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375208
PNG
(6-chloro-3-({[3-(propan-2-yl)pyridin-2- | US102530...)
Show SMILES CC(C)c1cccnc1NCc1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H18ClN3O/c1-11(2)15-4-3-7-20-17(15)21-10-13-8-12-9-14(19)5-6-16(12)22-18(13)23/h3-9,11H,10H2,1-2H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375170
PNG
(6-[(1-{6-chloro-7-[(3,3- | US10253015, Compound I-...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCC3CC(F)(F)C3)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375220
PNG
(6-{[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin- | US1...)
Show SMILES Cc1cc2cc(CNc3ccc(cn3)C#N)c(=O)[nH]c2cc1C
Show InChI InChI=1S/C18H16N4O/c1-11-5-14-7-15(18(23)22-16(14)6-12(11)2)10-21-17-4-3-13(8-19)9-20-17/h3-7,9H,10H2,1-2H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375144
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-4)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375165
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)ncc1C#N |r|
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n/an/a 55n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375199
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES Cc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N
Show InChI InChI=1S/C17H13ClN4O/c1-10-4-16(21-9-13(10)7-19)20-8-12-5-11-6-14(18)2-3-15(11)22-17(12)23/h2-6,9H,8H2,1H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375163
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(C)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375155
PNG
(6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1nccc(N2CCOC2=O)c1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375145
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-5)
Show SMILES C[C@H](Nc1cc(C)c(cn1)C#N)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375153
PNG
(6-chloro-3-[(1S)-1-{[4-(4,4- | US10253015, Compoun...)
Show SMILES C[C@H](Nc1cc(ccn1)N1C(=O)OCC1(C)C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375154
PNG
(6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375159
PNG
(6-chloro-3-[(1S)-1-({6- | US10253015, Compound I-1...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1cccc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375161
PNG
(6-{[1-(6-chloro-7-fluoro-2- | US10253015, Compound...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375198
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375180
PNG
(6-chloro-3-[(1S)-1-{[4-(1,5-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cnn(C)c1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375167
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1cc(C)c(cn1)C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375149
PNG
(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
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n/an/a 55n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375158
PNG
(6-chloro-3-[1-({4-[(4S)-2- | US10253015, Compound ...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cc3cc(Cl)ccc3[nH]c2=O)c1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375169
PNG
(6-({1-[6-chloro-2-oxo-7- | US10253015, Compound I-...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375170
PNG
(6-[(1-{6-chloro-7-[(3,3- | US10253015, Compound I-...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCC3CC(F)(F)C3)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375171
PNG
(6-{[1-(6-chloro-2-oxo-1,2- | US10253015, Compound ...)
Show SMILES Cc1nc(NC2(CC2)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C19H15ClN4O/c1-11-12(10-21)2-5-17(22-11)24-19(6-7-19)15-9-13-8-14(20)3-4-16(13)23-18(15)25/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375207
PNG
(6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3- | US102...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3ccc(cn3)C#N)cc2c1
Show InChI InChI=1S/C16H11ClN4O/c17-13-2-3-14-11(6-13)5-12(16(22)21-14)9-20-15-4-1-10(7-18)8-19-15/h1-6,8H,9H2,(H,19,20)(H,21,22)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375225
PNG
(6-[({6-chloro-7-[2-(4- | US10253015, Compound I-85)
Show SMILES Cc1nc(NCc2cc3cc(Cl)c(OCCN4CCN(CC4)S(C)(=O)=O)cc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C24H27ClN6O4S/c1-16-17(14-26)3-4-23(28-16)27-15-19-11-18-12-20(25)22(13-21(18)29-24(19)32)35-10-9-30-5-7-31(8-6-30)36(2,33)34/h3-4,11-13H,5-10,15H2,1-2H3,(H,27,28)(H,29,32)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375164
PNG
(6-{[1-(6-chloro-7-methoxy- | US10253015, Compound ...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)C(C)Nc1ccc(C#N)c(C)n1
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375151
PNG
(6-chloro-3-[(1S)-1-{[6-(2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1cccc(n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375141
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-1)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375141
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-1)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375146
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375168
PNG
(6-{[(1S)-1-[6-chloro-2-oxo- | US10253015, Compound...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375169
PNG
(6-({1-[6-chloro-2-oxo-7- | US10253015, Compound I-...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375170
PNG
(6-[(1-{6-chloro-7-[(3,3- | US10253015, Compound I-...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCC3CC(F)(F)C3)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375224
PNG
(6-({[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)- | US1...)
Show SMILES Cc1nc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C23H18ClN5O2/c1-14-15(11-25)5-6-22(28-14)27-12-17-8-16-9-19(24)21(10-20(16)29-23(17)30)31-13-18-4-2-3-7-26-18/h2-10H,12-13H2,1H3,(H,27,28)(H,29,30)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375162
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375179
PNG
(6-chloro-3-[(1S)-1-{[4-(1,3-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cc(C)nn1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375151
PNG
(6-chloro-3-[(1S)-1-{[6-(2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1cccc(n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375163
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(C)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375166
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(OC)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375174
PNG
(N-(2-{[(1S)-1-(6-chloro-2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1nccc(NC(C)=O)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375146
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375149
PNG
(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375191
PNG
(6-chloro-3-[(1S)-1-{[4-(3,5-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1nccc(-c2c(C)n[nH]c2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r,wD:1.0,(-.52,1.93,;-.52,.38,;.82,-.38,;2.15,.38,;2.15,1.93,;3.48,2.69,;4.82,1.93,;4.82,.38,;6.15,-.38,;7.61,.09,;8.38,1.42,;8.52,-1.15,;7.61,-2.4,;6.15,-1.93,;4.82,-2.69,;3.48,-.38,;3.48,-1.93,;-1.85,-.38,;-3.19,.38,;-4.52,-.38,;-5.85,.38,;-7.19,-.38,;-8.52,.38,;-7.19,-1.93,;-5.85,-2.69,;-4.52,-1.93,;-3.19,-2.69,;-1.85,-1.93,;-.52,-2.69,)|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375200
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES FC(F)(F)c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C17H10ClF3N4O/c18-12-2-3-13-10(6-12)5-11(16(26)24-13)8-23-14-4-1-9(7-22)15(25-14)17(19,20)21/h1-6H,8H2,(H,23,25)(H,24,26)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375209
PNG
(6-chloro-3-{[(4,6-dimethylpyridin-2- | US10253015,...)
Show SMILES Cc1cc(C)nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
Show InChI InChI=1S/C17H16ClN3O/c1-10-5-11(2)20-16(6-10)19-9-13-7-12-8-14(18)3-4-15(12)21-17(13)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375213
PNG
(US10253015, Compound I-73 | methyl 6-{[(6-chloro-2...)
Show SMILES COC(=O)c1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1S/C17H14ClN3O3/c1-24-17(23)14-3-2-4-15(20-14)19-9-11-7-10-8-12(18)5-6-13(10)21-16(11)22/h2-8H,9H2,1H3,(H,19,20)(H,21,22)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375214
PNG
(6-chloro-3-{[(4-methylpyridin-2- | US10253015, Com...)
Show SMILES Cc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
Show InChI InChI=1S/C16H14ClN3O/c1-10-4-5-18-15(6-10)19-9-12-7-11-8-13(17)2-3-14(11)20-16(12)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375147
PNG
(5-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-7)
Show SMILES COc1nc(ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O)C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375154
PNG
(6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375159
PNG
(6-chloro-3-[(1S)-1-({6- | US10253015, Compound I-1...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1cccc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375187
PNG
(6-chloro-3-[(1S)-1-({4-[1-(oxan-2-yl)-1H- | US1025...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1ccnn1C1CCCCO1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375190
PNG
(6-chloro-3-[(1S)-1-({4-[3-(trifluoromethyl)-1H- | ...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c[nH]nc1C(F)(F)F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375142
PNG
(6-{[(1S)-1-(6-chloro-1- | US10253015, Compound I-2)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3n(C)c2=O)ncc1C#N |r|
Show InChI InChI=1S/C19H17ClN4O2/c1-11(23-18-8-17(26-3)13(9-21)10-22-18)15-7-12-6-14(20)4-5-16(12)24(2)19(15)25/h4-8,10-11H,1-3H3,(H,22,23)/t11-/m0/s1
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375145
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-5)
Show SMILES C[C@H](Nc1cc(C)c(cn1)C#N)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375167
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1cc(C)c(cn1)C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375173
PNG
(6-chloro-3-[(1S)-1-({4-[(2- | US10253015, Compound...)
Show SMILES C[C@H](Nc1cc(NCCO)cc(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375176
PNG
(6-chloro-3-[(1S)-1-({3- | US10253015, Compound I-3...)
Show SMILES C[C@H](Nc1nccc(NCCO)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375177
PNG
(6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-3...)
Show SMILES C[C@H](Nc1nccc(c1F)-n1ccnc1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375181
PNG
(6-chloro-3-[(1S)-1-{[4-(1H-pyrazol-5-yl)pyridin- |...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1ccn[nH]1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375186
PNG
(6-chloro-3-[(1S)-1-{[3-fluoro-4-(4- | US10253015, ...)
Show SMILES C[C@H](Nc1nccc(-c2cscc2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375189
PNG
(6-chloro-3-[(1S)-1-{[4-(1-methyl-1H-pyrazol-5- | U...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1ccnn1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375192
PNG
(6-chloro-3-[(1S)-1-{[4-(1,3-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1nccc(-c2cc(C)nn2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375198
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375216
PNG
(6-chloro-3-{[(2-hydroxypyridin-3- | US10253015, Co...)
Show SMILES Oc1ncccc1NCc1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C15H12ClN3O2/c16-11-3-4-12-9(7-11)6-10(14(20)19-12)8-18-13-2-1-5-17-15(13)21/h1-7,18H,8H2,(H,17,21)(H,19,20)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375141
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-1)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375150
PNG
(6-chloro-3-[(1S)-1-{[4-(2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1cc(ccn1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375182
PNG
(6-chloro-3-[(1S)-1-{[3-fluoro-4-(1-methyl-1H- | US...)
Show SMILES C[C@H](Nc1nccc(-c2cccn2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375189
PNG
(6-chloro-3-[(1S)-1-{[4-(1-methyl-1H-pyrazol-5- | U...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1ccnn1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375193
PNG
(6-chloro-3-[(1S)-1-{[3-fluoro-4-(1-methyl-1H- | US...)
Show SMILES C[C@H](Nc1nccc(-c2ccnn2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375199
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES Cc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N
Show InChI InChI=1S/C17H13ClN4O/c1-10-4-16(21-9-13(10)7-19)20-8-12-5-11-6-14(18)2-3-15(11)22-17(12)23/h2-6,9H,8H2,1H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375212
PNG
(2-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3- | US102...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3cc(ccn3)C#N)cc2c1
Show InChI InChI=1S/C16H11ClN4O/c17-13-1-2-14-11(7-13)6-12(16(22)21-14)9-20-15-5-10(8-18)3-4-19-15/h1-7H,9H2,(H,19,20)(H,21,22)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375221
PNG
(6-{[(6-methoxy-2-oxo-1,2-dihydroquinolin-3- | US10...)
Show SMILES COc1ccc2[nH]c(=O)c(CNc3ccc(cn3)C#N)cc2c1
Show InChI InChI=1S/C17H14N4O2/c1-23-14-3-4-15-12(7-14)6-13(17(22)21-15)10-20-16-5-2-11(8-18)9-19-16/h2-7,9H,10H2,1H3,(H,19,20)(H,21,22)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375147
PNG
(5-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-7)
Show SMILES COc1nc(ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O)C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375158
PNG
(6-chloro-3-[1-({4-[(4S)-2- | US10253015, Compound ...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cc3cc(Cl)ccc3[nH]c2=O)c1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375144
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-4)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375154
PNG
(6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375161
PNG
(6-{[1-(6-chloro-7-fluoro-2- | US10253015, Compound...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375180
PNG
(6-chloro-3-[(1S)-1-{[4-(1,5-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cnn(C)c1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375188
PNG
(6-chloro-3-[(1S)-1-{[4-(4-methylthiophen-3- | US10...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cscc1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375215
PNG
(6-chloro-3-{[(5-chloropyridin-2- | US10253015, Com...)
Show SMILES Clc1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)nc1
Show InChI InChI=1S/C15H11Cl2N3O/c16-11-1-3-13-9(6-11)5-10(15(21)20-13)7-18-14-4-2-12(17)8-19-14/h1-6,8H,7H2,(H,18,19)(H,20,21)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375142
PNG
(6-{[(1S)-1-(6-chloro-1- | US10253015, Compound I-2)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3n(C)c2=O)ncc1C#N |r|
Show InChI InChI=1S/C19H17ClN4O2/c1-11(23-18-8-17(26-3)13(9-21)10-22-18)15-7-12-6-14(20)4-5-16(12)24(2)19(15)25/h4-8,10-11H,1-3H3,(H,22,23)/t11-/m0/s1
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375143
PNG
(6-{[(1R)-1-(6-chloro-2- | US10253015, Compound I-3)
Show SMILES COc1cc(N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375146
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6)
Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375179
PNG
(6-chloro-3-[(1S)-1-{[4-(1,3-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cc(C)nn1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375180
PNG
(6-chloro-3-[(1S)-1-{[4-(1,5-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cnn(C)c1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375183
PNG
(6-chloro-3-[(1S)-1-({4-[1-(2-methylpropyl)-1H- | U...)
Show SMILES CC(C)Cn1nccc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)c1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375183
PNG
(6-chloro-3-[(1S)-1-({4-[1-(2-methylpropyl)-1H- | U...)
Show SMILES CC(C)Cn1nccc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)c1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375185
PNG
(6-chloro-3-[(1S)-1-{[4-(1,5-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1nccc(-c2cnn(C)c2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375210
PNG
(6-chloro-3-{[(4-methoxypyridin-2- | US10253015, Co...)
Show SMILES COc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
Show InChI InChI=1S/C16H14ClN3O2/c1-22-13-4-5-18-15(8-13)19-9-11-6-10-7-12(17)2-3-14(10)20-16(11)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375153
PNG
(6-chloro-3-[(1S)-1-{[4-(4,4- | US10253015, Compoun...)
Show SMILES C[C@H](Nc1cc(ccn1)N1C(=O)OCC1(C)C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375144
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-4)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375145
PNG
(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-5)
Show SMILES C[C@H](Nc1cc(C)c(cn1)C#N)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375149
PNG
(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375151
PNG
(6-chloro-3-[(1S)-1-{[6-(2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1cccc(n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375156
PNG
(6-chloro-3-[(1S)-1-{[4- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1cc(F)cc(n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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n/an/a 550n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375162
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375184
PNG
(6-chloro-3-[(1S)-1-({4-[1-(propan-2-yl)-1H- | US10...)
Show SMILES CC(C)n1nccc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)c1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375165
PNG
(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)
Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)ncc1C#N |r|
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n/an/a 550n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375181
PNG
(6-chloro-3-[(1S)-1-{[4-(1H-pyrazol-5-yl)pyridin- |...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1ccn[nH]1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375147
PNG
(5-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-7)
Show SMILES COc1nc(ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O)C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375164
PNG
(6-{[1-(6-chloro-7-methoxy- | US10253015, Compound ...)
Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)C(C)Nc1ccc(C#N)c(C)n1
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375175
PNG
(2-(6-{[(1S)-1-(6-chloro-2- | US10253015, Compound ...)
Show SMILES C[C@H](Nc1cccc(n1)N1CCCS1(=O)=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375178
PNG
(6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-3...)
Show SMILES C[C@H](Nc1nccc(c1F)-n1cnc(C)c1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375187
PNG
(6-chloro-3-[(1S)-1-({4-[1-(oxan-2-yl)-1H- | US1025...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1ccnn1C1CCCCO1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375188
PNG
(6-chloro-3-[(1S)-1-{[4-(4-methylthiophen-3- | US10...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1cscc1C)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375211
PNG
(6-chloro-3-{[(5-fluoropyridin-2- | US10253015, Com...)
Show SMILES Fc1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)nc1
Show InChI InChI=1S/C15H11ClFN3O/c16-11-1-3-13-9(6-11)5-10(15(21)20-13)7-18-14-4-2-12(17)8-19-14/h1-6,8H,7H2,(H,18,19)(H,20,21)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375143
PNG
(6-{[(1R)-1-(6-chloro-2- | US10253015, Compound I-3)
Show SMILES COc1cc(N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375161
PNG
(6-{[1-(6-chloro-7-fluoro-2- | US10253015, Compound...)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
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n/an/a 550n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375184
PNG
(6-chloro-3-[(1S)-1-({4-[1-(propan-2-yl)-1H- | US10...)
Show SMILES CC(C)n1nccc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)c1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375192
PNG
(6-chloro-3-[(1S)-1-{[4-(1,3-dimethyl-1H- | US10253...)
Show SMILES C[C@H](Nc1nccc(-c2cc(C)nn2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375219
PNG
(6-chloro-3-({[4-(trifluoromethyl)pyridin-2- | US10...)
Show SMILES FC(F)(F)c1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
Show InChI InChI=1S/C16H11ClF3N3O/c17-12-1-2-13-9(6-12)5-10(15(24)23-13)8-22-14-7-11(3-4-21-14)16(18,19)20/h1-7H,8H2,(H,21,22)(H,23,24)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375207
PNG
(6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3- | US102...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3ccc(cn3)C#N)cc2c1
Show InChI InChI=1S/C16H11ClN4O/c17-13-2-3-14-11(6-13)5-12(16(22)21-14)9-20-15-4-1-10(7-18)8-19-15/h1-6,8H,9H2,(H,19,20)(H,21,22)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375193
PNG
(6-chloro-3-[(1S)-1-{[3-fluoro-4-(1-methyl-1H- | US...)
Show SMILES C[C@H](Nc1nccc(-c2ccnn2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375195
PNG
(6-chloro-3-[(1S)-1-({3-fluoro-4-[1-(oxan-2-yl)- | ...)
Show SMILES C[C@H](Nc1nccc(-c2ccnn2C2CCCCO2)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375203
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3ccc(C#N)c(n3)N3CCOC3=O)cc2c1
Show InChI InChI=1S/C19H14ClN5O3/c20-14-2-3-15-12(8-14)7-13(18(26)23-15)10-22-16-4-1-11(9-21)17(24-16)25-5-6-28-19(25)27/h1-4,7-8H,5-6,10H2,(H,22,24)(H,23,26)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375222
PNG
(6-methoxy-3-{[(4-methylpyridin-2- | US10253015, Co...)
Show SMILES COc1ccc2[nH]c(=O)c(CNc3cc(C)ccn3)cc2c1
Show InChI InChI=1S/C17H17N3O2/c1-11-5-6-18-16(7-11)19-10-13-8-12-9-14(22-2)3-4-15(12)20-17(13)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375223
PNG
(6-{[(6-chloro-7-methoxy-2-oxo-1,2- | US10253015, C...)
Show SMILES COc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(C)n3)cc2cc1Cl
Show InChI InChI=1S/C18H15ClN4O2/c1-10-11(8-20)3-4-17(22-10)21-9-13-5-12-6-14(19)16(25-2)7-15(12)23-18(13)24/h3-7H,9H2,1-2H3,(H,21,22)(H,23,24)
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375148
PNG
(6-{[(1R)-1-(6-chloro-2- | US10253015, Compound I-8)
Show SMILES C[C@@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375198
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375204
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES CC(C)C1CCCN1c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375206
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES COc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C17H13ClN4O2/c1-24-17-10(8-19)2-5-15(22-17)20-9-12-6-11-7-13(18)3-4-14(11)21-16(12)23/h2-7H,9H2,1H3,(H,20,22)(H,21,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375223
PNG
(6-{[(6-chloro-7-methoxy-2-oxo-1,2- | US10253015, C...)
Show SMILES COc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(C)n3)cc2cc1Cl
Show InChI InChI=1S/C18H15ClN4O2/c1-10-11(8-20)3-4-17(22-10)21-9-13-5-12-6-14(19)16(25-2)7-15(12)23-18(13)24/h3-7H,9H2,1-2H3,(H,21,22)(H,23,24)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375190
PNG
(6-chloro-3-[(1S)-1-({4-[3-(trifluoromethyl)-1H- | ...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c[nH]nc1C(F)(F)F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375196
PNG
(6-chloro-3-[(1S)-1-({3-fluoro-4-[1-(2- | US1025301...)
Show SMILES CC(C)Cn1nccc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)c1F |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375160
PNG
(6-chloro-3-[(1R)-1-({6- | US10253015, Compound I-2...)
Show SMILES CC(C)[C@H]1COC(=O)N1c1cccc(N[C@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1 |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375176
PNG
(6-chloro-3-[(1S)-1-({3- | US10253015, Compound I-3...)
Show SMILES C[C@H](Nc1nccc(NCCO)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375202
PNG
(2-chloro-6-{[(6-chloro-2- | US10253015, Compound I...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3ccc(C#N)c(Cl)n3)cc2c1
Show InChI InChI=1S/C16H10Cl2N4O/c17-12-2-3-13-10(6-12)5-11(16(23)21-13)8-20-14-4-1-9(7-19)15(18)22-14/h1-6H,8H2,(H,20,22)(H,21,23)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375223
PNG
(6-{[(6-chloro-7-methoxy-2-oxo-1,2- | US10253015, C...)
Show SMILES COc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(C)n3)cc2cc1Cl
Show InChI InChI=1S/C18H15ClN4O2/c1-10-11(8-20)3-4-17(22-10)21-9-13-5-12-6-14(19)16(25-2)7-15(12)23-18(13)24/h3-7H,9H2,1-2H3,(H,21,22)(H,23,24)
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375157
PNG
(6-chloro-3-[(1S)-1-{[6- | US10253015, Compound I-1...)
Show SMILES C[C@H](Nc1cc(cc(F)n1)N1COCC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375197
PNG
(6-chloro-3-[(1S)-1-({3-fluoro-4-[1-(propan-2-yl)- ...)
Show SMILES CC(C)n1nccc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)c1F |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375194
PNG
(6-chloro-3-[(1S)-1-{[4-(dimethyl-1,2-oxazol-4- | U...)
Show SMILES C[C@H](Nc1nccc(-c2c(C)noc2C)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r,wD:1.0,(-.52,1.93,;-.52,.38,;.82,-.38,;2.15,.38,;2.15,1.93,;3.48,2.69,;4.82,1.93,;4.82,.38,;6.15,-.38,;7.61,.09,;8.38,1.42,;8.52,-1.15,;7.61,-2.4,;6.15,-1.93,;4.82,-2.69,;3.48,-.38,;3.48,-1.93,;-1.85,-.38,;-3.19,.38,;-4.52,-.38,;-5.85,.38,;-7.19,-.38,;-8.52,.38,;-7.19,-1.93,;-5.85,-2.69,;-4.52,-1.93,;-3.19,-2.69,;-1.85,-1.93,;-.52,-2.69,)|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375196
PNG
(6-chloro-3-[(1S)-1-({3-fluoro-4-[1-(2- | US1025301...)
Show SMILES CC(C)Cn1nccc1-c1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)c1F |r|
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375217
PNG
(6-chloro-3-({[5-(trifluoromethyl)pyridin-2- | US10...)
Show SMILES FC(F)(F)c1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)nc1
Show InChI InChI=1S/C16H11ClF3N3O/c17-12-2-3-13-9(6-12)5-10(15(24)23-13)7-21-14-4-1-11(8-22-14)16(18,19)20/h1-6,8H,7H2,(H,21,22)(H,23,24)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375218
PNG
(5-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3- | US102...)
Show SMILES Clc1ccc2[nH]c(=O)c(CNc3ccc(nc3)C#N)cc2c1
Show InChI InChI=1S/C16H11ClN4O/c17-12-1-4-15-10(6-12)5-11(16(22)21-15)8-19-14-3-2-13(7-18)20-9-14/h1-6,9,19H,8H2,(H,21,22)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM375205
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES CC(C)CN(C)c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C21H22ClN5O/c1-13(2)12-27(3)20-14(10-23)4-7-19(26-20)24-11-16-8-15-9-17(22)5-6-18(15)25-21(16)28/h4-9,13H,11-12H2,1-3H3,(H,24,26)(H,25,28)
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Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM375149
PNG
(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)
Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
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Vanderbilt University School of Medicine



Assay Description
HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%