BDBM50145793 5-((2,4-diaminopteridin-6-yl)methyl)-5H-dibenzo[b,f]azepin-2-ol::5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f]azepin-2-ol::CHEMBL81995

SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(O)ccc34)cnc2n1

InChI Key InChIKey=XMDYYIQNDSEQJW-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 = 50145793   

TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145793(5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f...)
Affinity DataIC50: 1.30nMAssay Description:Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 1.2-1.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145793(5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f...)
Affinity DataIC50: 26nMAssay Description:Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 23-30More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145793(5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f...)
Affinity DataIC50: 31nMAssay Description:Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 28-35More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Rat)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145793(5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f...)
Affinity DataIC50: 41nMAssay Description:Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 370-440More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed