BDBM50580116 CHEMBL5093943

SMILES Cn1c2c(nc1Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C

InChI Key InChIKey=VGQGEPKBLLWTIL-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50580116   

TargetBifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial(Human)
National Health Research Institutes

Curated by ChEMBL
LigandPNGBDBM50580116(CHEMBL5093943)
Affinity DataIC50: 780nMAssay Description:Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-1-tetrahydrofolate synthase, cytoplasmic(Human)
National Health Research Institutes

Curated by ChEMBL
LigandPNGBDBM50580116(CHEMBL5093943)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed