BDBM50535659 CHEMBL4474283

SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)oc1ccccc21

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   

TargetC-1-tetrahydrofolate synthase, cytoplasmic(Homo sapiens (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 InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetBifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial(Homo sapiens (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 InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI