BDBM50531779 CHEMBL4553229::US11530198, Example 4

SMILES Nc1ncc(N2CCN(CC2)c2ccccc2)c(N)n1

InChI Key InChIKey=IPZOXRSTVKZPHN-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 50531779   

TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  1.25E+4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  209nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  1.26E+4nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  209nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  1.26E+4nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium falciparum (isolate K1 / Thailand))
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  1.91nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  1.26E+4nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  31.6nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  1.26E+4nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  501nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  1.26E+4nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma cruzi)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Affinity DataIC50:  91.2nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent