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

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

InChI Key InChIKey=ORMJWSHZQMNLEH-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50145798   

TargetDihydrofolate reductase(Homo sapiens (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
TargetDihydrofolate reductase(Homo sapiens (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
TargetDihydrofolate reductase(Homo sapiens (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
TargetDihydrofolate reductase(Rattus norvegicus (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