BDBM50003896 (DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{(S)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL170101

SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1

InChI Key InChIKey=ZUQBAQVRAURMCL-UHFFFAOYSA-N

Data  2 KI  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 6 hits for monomerid = 50003896   

TargetThymidylate synthase(Mus musculus)
Princeton University

Curated by ChEMBL
LigandPNGBDBM50003896((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Affinity DataKi:  30nMAssay Description:Compound was evaluated for competitive inhibition of recombinant mouse thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50003896((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Affinity DataKi:  120nMAssay Description:Tested in vitro for its inhibition of trifunctional glycinamide ribonucleotide formyltransferase (GARFT) isolated from murine L1210 leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50003896((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Affinity DataIC50:  5.60E+5nMAssay Description:In vitro inhibitory concentration against beef liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50003896((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Affinity DataIC50: >1.00E+6nMAssay Description:In vitro inhibitory concentration against Lactobacillus casei thymidylate synthetaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional purine biosynthesis protein ATIC(Homo sapiens (Human))
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50003896((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Affinity DataIC50:  1.30E+5nMAssay Description:In vitro inhibitory activity of the compound against MOLT-4 T-cell leukemia cell AICAR transformylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50003896((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Affinity DataIC50:  220nMAssay Description:In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed