BDBM50627942 CHEMBL5405010

SMILES c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI Key InChIKey=XKLSPKTUYQAZHW-UHFFFAOYSA-N

Data  4 KI

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50627942   

TargetSerine hydroxymethyltransferase, mitochondrial(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627942(CHEMBL5405010)
Affinity DataKi:  450nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetSerine hydroxymethyltransferase, cytosolic(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627942(CHEMBL5405010)
Affinity DataKi:  1.25E+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
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627942(CHEMBL5405010)
Affinity DataKi:  3.13E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBifunctional purine biosynthesis protein ATIC(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50627942(CHEMBL5405010)
Affinity DataKi:  3.72E+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