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Patent code US10584132

Compile Data Set for Download or QSAR
Found 20 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
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
PDB

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PC sid
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US Patent
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, 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
PDB
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n/an/a 0.400n/an/an/an/an/an/a



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))
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
PDB

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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))
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
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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, 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
PDB

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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, 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
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n/an/a 0.800n/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))
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
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n/an/a 1n/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
PDB

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n/an/a 1.40n/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))
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
PDB
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n/an/a 1.70n/an/an/an/an/an/a



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
PDB

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n/an/a 1.70n/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
PDB
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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
PDB

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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))
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
PDB
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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
PDB

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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))
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
PDB
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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))
BDBM285667
PNG
(US10077273, Compound 73 | US10584132, Compound 73)
Show SMILES COC(=O)CCC#Cc1cc(cc(c1)C1(C(C)C)c2c(C)n[nH]c2OC(N)=C1C#N)C(F)(F)F
PDB

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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))
BDBM285668
PNG
(US10077273, Compound 8 | US10584132, Compound 8)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCN
PDB
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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))
BDBM285669
PNG
(US10077273, Compound 74 | US10584132, Compound 74)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(CO)cc(c1)C#CCCCO
PDB
MMDB

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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))
BDBM285669
PNG
(US10077273, Compound 74 | US10584132, Compound 74)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(CO)cc(c1)C#CCCCO
PDB

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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))
BDBM285668
PNG
(US10077273, Compound 8 | US10584132, Compound 8)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCN
PDB

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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
* indicates data uncertainty>20%