BDBM50461741 CHEMBL4227112::US11001595, Compound 6::US11111252, Compound 6

SMILES COc1ccccc1Sc1c(C)c2c(N)nc(N)nc2n1C

InChI Key InChIKey=OXBQXSXKYSCHQC-UHFFFAOYSA-N

Data  6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50461741   

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

US Patent
LigandPNGBDBM50461741(CHEMBL4227112 | US11111252, Compound 6 | US1100159...)
Affinity DataIC50: 210nMAssay 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 pneumocystis pneumonia agent)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM50461741(CHEMBL4227112 | US11111252, Compound 6 | US1100159...)
Affinity DataIC50: 210nMAssay 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
LigandPNGBDBM50461741(CHEMBL4227112 | US11111252, Compound 6 | US1100159...)
Affinity DataIC50: 210nMAssay Description:Inhibition of Pneumocystis jirovecii recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM50461741(CHEMBL4227112 | US11111252, Compound 6 | US1100159...)
Affinity DataIC50: 1.40E+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

TargetDihydrofolate reductase(Human)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM50461741(CHEMBL4227112 | US11111252, Compound 6 | US1100159...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM50461741(CHEMBL4227112 | US11111252, Compound 6 | US1100159...)
Affinity DataIC50: 1.40E+3nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
US Patent