BDBM50190619 CHEMBL3827086::US10870625, Compound 14

SMILES CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccccc1C(O)=O

InChI Key InChIKey=MUUCGSVEZHLUSR-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50190619   

TargetDihydrofolate reductase(Human)
University of Connecticut

US Patent
LigandPNGBDBM50190619(CHEMBL3827086 | US10870625, Compound 14)
Affinity DataIC50: 1.58E+3nMAssay Description:Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2021
Entry Details
Go to US Patent

TargetDihydrofolate reductase(Escherichia coli)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190619(CHEMBL3827086 | US10870625, Compound 14)
Affinity DataKi:  2.10nMAssay Description:Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrof...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2017
Entry Details Article
PubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190619(CHEMBL3827086 | US10870625, Compound 14)
Affinity DataKi:  53nMAssay Description:Inhibition of recombinant Staphylococcus aureus DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dih...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2017
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of Connecticut

US Patent
LigandPNGBDBM50190619(CHEMBL3827086 | US10870625, Compound 14)
Affinity DataKi:  2.50E+3nMAssay Description:Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2017
Entry Details Article
PubMed