BDBM50011325 2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3H-1,3,6,10-tetraaza-phenanthren-6-yl)-benzoylamino]-pentanedioic acid::CHEMBL158034

SMILES Nc1nc2NCC3CCN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50011325   

TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50011325(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Affinity DataIC50: >2.00E+4nMAssay Description:Compound was evaluated for the ability to inhibit Glycinamide ribonucleotide formyltransferase from Lactobacillus casei cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50011325(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Affinity DataIC50: >2.00E+4nMAssay Description:Compound was evaluated for the ability to inhibit thymidylate synthase from Lactobacillus casei cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50011325(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Affinity DataIC50: >2.00E+5nMAssay Description:Compound was evaluated for the ability to inhibit Glycinamide ribonucleotide formyltransferase from Manca cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50011325(2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3...)
Affinity DataIC50: >1.00E+5nMAssay Description:Compound was evaluated for the ability to inhibit thymidylate synthase from Lactobacillus casei cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed