BDBM50531783 CHEMBL4591892::US11530198, Example 87

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

InChI Key InChIKey=NUSOKJSAAFOUGX-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 = 50531783   

TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531783(CHEMBL4591892 | US11530198, Example 87)
Affinity DataIC50:  2.80E+3nMAssay 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(Trypanosoma brucei brucei)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531783(CHEMBL4591892 | US11530198, Example 87)
Affinity DataIC50:  7.41nMAssay 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
LigandPNGBDBM50531783(CHEMBL4591892 | US11530198, Example 87)
Affinity DataIC50:  5.50E+3nMAssay 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
LigandPNGBDBM50531783(CHEMBL4591892 | US11530198, Example 87)
Affinity DataIC50:  33nMAssay 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