BDBM210931 UCP1175

SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O

InChI Key InChIKey=VLQRVOAJCWFFQG-UHFFFAOYSA-N

Data  4 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 210931   

TargetDihydrofolate reductase(Staphylococcus aureus)
University of Connecticut

LigandPNGBDBM210931(UCP1175)
Affinity DataIC50:  170nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Mycobacterium tuberculosis)TBA
LigandPNGBDBM210931(UCP1175)
Affinity DataIC50:  460nMAssay Description:Inhibition of Mycobacterium tuberculosis DHFRMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetDihydrofolate reductase(Staphylococcus aureus)
University of Connecticut

LigandPNGBDBM210931(UCP1175)
Affinity DataIC50:  1.40E+3nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM210931(UCP1175)
Affinity DataIC50:  11nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetDihydrofolate reductase type 1 from Tn4003(Staphylococcus aureus)
University of Connecticut

LigandPNGBDBM210931(UCP1175)
Affinity DataIC50:  980nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed