BDBM50190622 CHEMBL3827326

SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O

InChI Key InChIKey=AHYITWBFECTSSJ-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50190622   

TargetDihydrofolate reductase(Escherichia coli)
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190622(CHEMBL3827326)
Affinity DataKi:  1.90nMAssay 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
LigandPNGBDBM50190622(CHEMBL3827326)
Affinity DataKi:  5.5nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50190622(CHEMBL3827326)
Affinity DataKi:  377nMAssay 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