BDBM50509353 CHEMBL4546647

SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1

InChI Key InChIKey=DHJUEJALVPLBJH-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 = 50509353   

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

Curated by ChEMBL

LigandBDBM50509353(CHEMBL4546647)Copy SMILESCopy InChI

Affinity DataIC50: 48nMAssay Description:Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NADMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/19/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetC-1-tetrahydrofolate synthase, cytoplasmic(Human)
Daiichi Sankyo

Curated by ChEMBL

LigandBDBM50509353(CHEMBL4546647)Copy SMILESCopy InChI

Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NADMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/19/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL