BDBM497336 US11001595, Compound 9::US11111252, Compound 9

SMILES COc1ccc(Sc2c(C)c3c(N)nc(N)nc3n2C)cc1OC

InChI Key InChIKey=UWVFSWRKBWPHIK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 497336   

TargetDihydrofolate reductase(Human pneumocystis pneumonia agent)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM497336(US11111252, Compound 9 | US11001595, Compound 9)
Affinity DataIC50: 234nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
US Patent

TargetDihydrofolate reductase(Human pneumocystis pneumonia agent)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM497336(US11111252, Compound 9 | US11001595, Compound 9)
Affinity DataIC50: 234nMAssay Description:Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2022
Entry Details
US Patent

TargetDihydrofolate reductase(Human)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM497336(US11111252, Compound 9 | US11001595, Compound 9)
Affinity DataIC50: 1.10E+3nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
US Patent

TargetDihydrofolate reductase(Human)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM497336(US11111252, Compound 9 | US11001595, Compound 9)
Affinity DataIC50: 1.10E+3nMAssay Description:Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2022
Entry Details
US Patent