BDBM50531797 CHEMBL4550110::US11530198, Example 86

SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cnc(nc2)C2CC2)c(N)n1

InChI Key InChIKey=XRRABFIIRGELKS-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50531797   

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

Curated by ChEMBL
LigandPNGBDBM50531797(CHEMBL4550110 | US11530198, Example 86)
Affinity DataIC50: 9.90nMAssay Description:Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531797(CHEMBL4550110 | US11530198, Example 86)
Affinity DataIC50: 973nMAssay Description:Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531797(CHEMBL4550110 | US11530198, Example 86)
Affinity DataIC50: 832nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531797(CHEMBL4550110 | US11530198, Example 86)
Affinity DataIC50: 2.51nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails
US Patent