BDBM50509353 CHEMBL4546647

SMILES Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C

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)
Copy Rxn URL

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