BDBM50531778 CHEMBL4546142::US11530198, Example 9

SMILES COc1cccc(c1)N1CCN(CC1)c1cnc(N)nc1N

InChI Key InChIKey=HAMIUMQPXQROCP-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 = 50531778   

TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531778(CHEMBL4546142 | US11530198, Example 9)
Affinity DataIC50: 2.71E+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
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531778(CHEMBL4546142 | US11530198, Example 9)
Affinity DataIC50: 58nMAssay 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 Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531778(CHEMBL4546142 | US11530198, Example 9)
Affinity DataIC50: 3.16E+3nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50531778(CHEMBL4546142 | US11530198, Example 9)
Affinity DataIC50: 28.8nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent