BDBM50145798 4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f]azepin-2-yloxy]-butyric acid::CHEMBL430821

SMILES c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O

InChI Key InChIKey=ORMJWSHZQMNLEH-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50145798   

TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145798(4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...)
Affinity DataIC50: 1.10nMAssay Description:Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 0.92-1.3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Rat)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145798(4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...)
Affinity DataIC50: 1.50E+3nMAssay Description:Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 1100-1800More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145798(4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...)
Affinity DataIC50: 2nMAssay Description:Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 1.7-2.3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50145798(4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...)
Affinity DataIC50: 9.90nMAssay Description:Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 8.9-11More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)