BDBM50190621 CHEMBL3827532::US10870625, Compound 15

SMILES CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccc(cc1)C(O)=O

InChI Key InChIKey=KQGRJTMRAQWNLV-UHFFFAOYSA-N

Data  4 KI  1 IC50

PDB links: 5 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50190621   

TargetDihydrofolate reductase(Escherichia coli)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190621(CHEMBL3827532 | US10870625, Compound 15)
Affinity DataKi:  0.980nMAssay 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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190621(CHEMBL3827532 | US10870625, Compound 15)
Affinity DataKi:  4.80nMAssay 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
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190621(CHEMBL3827532 | US10870625, Compound 15)
Affinity DataKi:  4.80nMAssay 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
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190621(CHEMBL3827532 | US10870625, Compound 15)
Affinity DataKi:  201nMAssay 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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL
LigandPNGBDBM50190621(CHEMBL3827532 | US10870625, Compound 15)
Affinity DataIC50:  870nMAssay 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 DepthDetails US Patent