BDBM50627946 CHEMBL5402700

SMILES Nc1nc2ccn(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1

InChI Key InChIKey=WGYGPIXPXCENCU-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50627946   

TargetSerine hydroxymethyltransferase, cytosolic(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627946(CHEMBL5402700)
Affinity DataKi:  1.04E+3nMAssay Description:Binding affinity to N-terminal 6His-tagged full length truncated SHMT1 (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetSerine hydroxymethyltransferase, mitochondrial(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627946(CHEMBL5402700)
Affinity DataKi:  1.17E+3nMAssay Description:Binding affinity to N-terminal 6His-tagged truncated SHMT2 (30 to 504 residues) (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627946(CHEMBL5402700)
Affinity DataKi:  2.99E+3nMAssay Description:Binding affinity to N-terminal 6His-tagged full length human ATIC expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibition constant b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627946(CHEMBL5402700)
Affinity DataKi:  1.03E+4nMAssay Description:Binding affinity to N-terminal 6His-tagged human GARFTase (808 to 1010 residues) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed