BDBM50203224 CHEMBL3953069::US11530198, Example 1

SMILES Nc1ncc(N2CCN(CC2)c2ccc(Cl)c(Cl)c2)c(N)n1

InChI Key InChIKey=YYBKNWXCJMWHIP-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50203224   

TargetDihydrofolate reductase(Human)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203224(CHEMBL3953069 | US11530198, Example 1)
Affinity DataIC50:  92nMAssay Description:Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50203224(CHEMBL3953069 | US11530198, Example 1)
Affinity DataIC50:  13.8nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetDihydrofolate reductase(Human)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203224(CHEMBL3953069 | US11530198, Example 1)
Affinity DataIC50:  75.9nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails US Patent


TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50203224(CHEMBL3953069 | US11530198, Example 1)
Affinity DataIC50:  17nMAssay Description:Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)