BDBM50580113 CHEMBL5090659

SMILES Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl

InChI Key InChIKey=ILEKCBRCJDWEIR-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50580113   

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

Curated by ChEMBL
LigandPNGBDBM50580113(CHEMBL5090659)
Affinity DataIC50: 690nMAssay 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
LigandPNGBDBM50580113(CHEMBL5090659)
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