BDBM50531785 CHEMBL4543226::US11530198, Example 69

SMILES Cc1ncc(cn1)-c1cccc(c1)N1CCN(CC1)c1cnc(N)nc1N

InChI Key InChIKey=NLZHOJOCWCLWFT-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50531785   

TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531785(CHEMBL4543226 | US11530198, Example 69)
Affinity DataIC50:  935nMAssay 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 sidPDB
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531785(CHEMBL4543226 | US11530198, Example 69)
Affinity DataIC50:  4nMAssay 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 sidPDB
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531785(CHEMBL4543226 | US11530198, Example 69)
Affinity DataIC50:  2nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531785(CHEMBL4543226 | US11530198, Example 69)
Affinity DataIC50:  4.47nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531785(CHEMBL4543226 | US11530198, Example 69)
Affinity DataIC50:  794nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531785(CHEMBL4543226 | US11530198, Example 69)
Affinity DataIC50:  1.02E+3nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent