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BDBM285659 US10077273, Compound 68::US10584132, Compound 68::US10934305, Compound 68

SMILES: CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C#CCCC(O)=O)C#N

InChI Key:

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 285659   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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, 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|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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|
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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)

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|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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, 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|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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)

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

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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