BDBM50128536 5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-pyrimidine-2,4-diamine::CHEMBL77582

SMILES COc1cc2CCN(Cc3cnc(N)nc3N)Cc2cc1OC

InChI Key InChIKey=GLXXCDORQLSBNC-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 = 50128536   

TargetDihydrofolate reductase(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50128536(5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylme...)
Affinity DataIC50: 10nMAssay Description:Antibacterial activity against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50128536(5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylme...)
Affinity DataIC50: 210nMAssay Description:Inhibitory activity of TMP-Resistance DHFR against Staphylococcus pneumoniae 1/1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50128536(5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylme...)
Affinity DataIC50: 210nMAssay Description:Inhibitory activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50128536(5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylme...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibitory activity of TMP-Resistance DHFR against Staphylococcus aureus 157/4696More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50128536(5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylme...)
Affinity DataIC50: 3.00E+4nMAssay Description:Antibacterial activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus pneumoniae 1/1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50128536(5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylme...)
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for inhibition of TMP-Resistant Dihydrofolate reductase from Staphylococcus aureus 157/4696.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed