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Compile Data Set for Download or QSAR

Found 246 hits Enz. Inhib. hit(s) with Target = 'Glycine hydroxymethyltransferase'   
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
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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Article
PubMed
1.91E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic by spectrophotometry


Eur J Med Chem 46: 1616-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.009
BindingDB Entry DOI: 10.7270/Q22V2H35
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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PubMed
3.30E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by slope intercepts of mixed-type inhibition against compound con...


Eur J Med Chem 46: 1616-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.009
BindingDB Entry DOI: 10.7270/Q22V2H35
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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1.86E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by Y-axes intercepts of mixed-type inhibition against ...


Eur J Med Chem 46: 1616-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.009
BindingDB Entry DOI: 10.7270/Q22V2H35
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285658
PNG
(US10077273, Compound 4 | US10584132, Compound 4 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(O)=O |c:13|
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n/an/a 0.170n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285658
PNG
(US10077273, Compound 4 | US10584132, Compound 4 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(O)=O |c:13|
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n/an/a 0.170n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285658
PNG
(US10077273, Compound 4 | US10584132, Compound 4 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(O)=O |c:13|
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n/an/a 0.170n/an/an/an/a7.4n/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285659
PNG
(US10077273, Compound 68 | US10584132, Compound 68 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N |c:13|
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n/an/a 0.400n/an/an/an/a7.4n/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285659
PNG
(US10077273, Compound 68 | US10584132, Compound 68 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N |c:13|
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n/an/a 0.400n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285663
PNG
(US10077273, Compound 11 | US10584132, Compound 11 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(N)=O |c:13|
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n/an/a 0.400n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285663
PNG
(US10077273, Compound 11 | US10584132, Compound 11 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(N)=O |c:13|
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The Trustees of Princeton University

US Patent




US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285659
PNG
(US10077273, Compound 68 | US10584132, Compound 68 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N |c:13|
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n/an/a 0.400n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285663
PNG
(US10077273, Compound 11 | US10584132, Compound 11 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(N)=O |c:13|
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n/an/a 0.400n/an/an/an/a7.4n/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285660
PNG
(US10077273, Compound 1 | US10584132, Compound 1 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCO |c:13|
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n/an/a 0.650n/an/an/an/a7.4n/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285660
PNG
(US10077273, Compound 1 | US10584132, Compound 1 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCO |c:13|
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n/an/a 0.650n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285660
PNG
(US10077273, Compound 1 | US10584132, Compound 1 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCO |c:13|
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n/an/a 0.650n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285660
PNG
(US10077273, Compound 1 | US10584132, Compound 1 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCO |c:13|
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US Patent
n/an/a 0.790n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285660
PNG
(US10077273, Compound 1 | US10584132, Compound 1 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCO |c:13|
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n/an/a 0.790n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285660
PNG
(US10077273, Compound 1 | US10584132, Compound 1 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCO |c:13|
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US Patent
n/an/a 0.790n/an/an/an/a7.4n/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285661
PNG
(US10077273, Compound 69 | US10584132, Compound 69 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r,c:13|
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n/an/a 0.800n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285661
PNG
(US10077273, Compound 69 | US10584132, Compound 69 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r,c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285661
PNG
(US10077273, Compound 69 | US10584132, Compound 69 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r,c:13|
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The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285662
PNG
(US10077273, Compound 70 | US10584132, Compound 70 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@H](CCC(O)=O)C(O)=O |r,c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285662
PNG
(US10077273, Compound 70 | US10584132, Compound 70 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@H](CCC(O)=O)C(O)=O |r,c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285662
PNG
(US10077273, Compound 70 | US10584132, Compound 70 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@H](CCC(O)=O)C(O)=O |r,c:13|
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The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285663
PNG
(US10077273, Compound 11 | US10584132, Compound 11 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(N)=O |c:13|
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US Patent
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The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285663
PNG
(US10077273, Compound 11 | US10584132, Compound 11 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(N)=O |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285663
PNG
(US10077273, Compound 11 | US10584132, Compound 11 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(N)=O |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285659
PNG
(US10077273, Compound 68 | US10584132, Compound 68 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285664
PNG
(US10077273, Compound 71 | US10584132, Compound 71 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCCO)C#N |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285659
PNG
(US10077273, Compound 68 | US10584132, Compound 68 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N |c:13|
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The Trustees of Princeton University

US Patent




US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285664
PNG
(US10077273, Compound 71 | US10584132, Compound 71 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCCO)C#N |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285664
PNG
(US10077273, Compound 71 | US10584132, Compound 71 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCCO)C#N |c:13|
PDB

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US Patent
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285659
PNG
(US10077273, Compound 68 | US10584132, Compound 68 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N |c:13|
PDB

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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285666
PNG
(US10077273, Compound 2 | US10584132, Compound 2 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCO |c:13|
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US Patent




US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285665
PNG
(US10077273, Compound 72 | US10584132, Compound 72 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)NC(C)(C)C(O)=O |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285666
PNG
(US10077273, Compound 2 | US10584132, Compound 2 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCO |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285665
PNG
(US10077273, Compound 72 | US10584132, Compound 72 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)NC(C)(C)C(O)=O |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285665
PNG
(US10077273, Compound 72 | US10584132, Compound 72 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)NC(C)(C)C(O)=O |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285666
PNG
(US10077273, Compound 2 | US10584132, Compound 2 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCO |c:13|
PDB

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US Patent
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285664
PNG
(US10077273, Compound 71 | US10584132, Compound 71 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCCO)C#N |c:13|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285664
PNG
(US10077273, Compound 71 | US10584132, Compound 71 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCCO)C#N |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285664
PNG
(US10077273, Compound 71 | US10584132, Compound 71 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCCO)C#N |c:13|
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The Trustees of Princeton University

US Patent




US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285666
PNG
(US10077273, Compound 2 | US10584132, Compound 2 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCO |c:13|
PDB

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UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285666
PNG
(US10077273, Compound 2 | US10584132, Compound 2 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCO |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285666
PNG
(US10077273, Compound 2 | US10584132, Compound 2 | ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCO |c:13|
PDB

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US Patent
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285665
PNG
(US10077273, Compound 72 | US10584132, Compound 72 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)NC(C)(C)C(O)=O |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285665
PNG
(US10077273, Compound 72 | US10584132, Compound 72 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)NC(C)(C)C(O)=O |c:13|
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The Trustees of Princeton University

US Patent




US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285665
PNG
(US10077273, Compound 72 | US10584132, Compound 72 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)NC(C)(C)C(O)=O |c:13|
PDB

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US Patent
n/an/a 4n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10934305 (2021)


BindingDB Entry DOI: 10.7270/Q2KK9FXN
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285688
PNG
(US10077273, Compound HK-X2 | US10934305, Compound ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(CO)cc(c1)-c1ccccc1 |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, cytosolic


(Homo sapiens (Human))
BDBM285686
PNG
(US10077273, Compound HK-16 | US10077273, Compound ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13|
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The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair
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