BDBM210930 UCP1173

SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O

InChI Key InChIKey=OKJCHFXBCVXSIZ-AWEZNQCLSA-N

Data  4 KI  4 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 8 hits for monomerid = 210930   

TargetDihydrofolate reductase(Escherichia coli)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM210930(UCP1173)
Affinity DataKi:  0.910nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM210930(UCP1173)
Affinity DataKi:  1.30nMAssay 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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM210930(UCP1173)
Affinity DataKi:  1.30nMAssay Description:Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM210930(UCP1173)
Affinity DataKi:  234nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetDihydrofolate reductase type 1 from Tn4003(Staphylococcus aureus)
University Of Connecticut

LigandPNGBDBM210930(UCP1173)
Affinity DataIC50:  270nMAssay 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

LigandPNGBDBM210930(UCP1173)
Affinity DataIC50:  190nMAssay 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
LigandPNGBDBM210930(UCP1173)
Affinity DataIC50:  14nMAssay 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

LigandPNGBDBM210930(UCP1173)
Affinity DataIC50:  91nMAssay 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