BDBM50535659 CHEMBL4474283

SMILES c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2

InChI Key InChIKey=OXUKTNZACAKVRG-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50535659   

TargetBifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial(Human)
Daiichi Sankyo

Curated by ChEMBL

LigandBDBM50535659(CHEMBL4474283)Copy SMILESCopy InChI

Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/28/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetC-1-tetrahydrofolate synthase, cytoplasmic(Human)
Daiichi Sankyo

Curated by ChEMBL

LigandBDBM50535659(CHEMBL4474283)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/28/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL