BDBM50461737 CHEMBL4227977::US11001595, Compound 7::US11111252, Compound 7

SMILES COc1cccc(Sc2c(C)c3c(N)nc(N)nc3n2C)c1

InChI Key InChIKey=MYBSYTVJQVSHCK-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50461737   

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

US Patent
LigandPNGBDBM50461737(CHEMBL4227977 | US11111252, Compound 7 | US1100159...)
Affinity DataIC50: 160nMAssay 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
LigandPNGBDBM50461737(CHEMBL4227977 | US11111252, Compound 7 | US1100159...)
Affinity DataIC50: 160nMAssay 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
LigandPNGBDBM50461737(CHEMBL4227977 | US11111252, Compound 7 | US1100159...)
Affinity DataIC50: 160nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50461737(CHEMBL4227977 | US11111252, Compound 7 | US1100159...)
Affinity DataIC50: 1.20E+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

Curated by ChEMBL
LigandPNGBDBM50461737(CHEMBL4227977 | US11111252, Compound 7 | US1100159...)
Affinity DataIC50: 1.90E+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

Curated by ChEMBL
LigandPNGBDBM50461737(CHEMBL4227977 | US11111252, Compound 7 | US1100159...)
Affinity DataIC50: 1.90E+3nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
US Patent