BDBM50354833 AGF94::CHEMBL1834488

SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=WMBYSCVMFMNUQV-LBPRGKRZSA-N

Data  6 KI  23 IC50

  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 6 hits for monomerid = 50354833   

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

Curated by ChEMBL
LigandPNGBDBM50354833(AGF94 | CHEMBL1834488)
Affinity DataKi:  68nMAssay Description:Inhibition of recombinant N-terminal 6His-tagged human GARFTase assessed as formation of 5,8-dideazafolate from 10-formyl-5,8-dideazafolic acid measu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50354833(AGF94 | CHEMBL1834488)
Affinity DataKi:  68nMAssay Description:Inhibition of human recombinant His-tagged GARFTase assessed as formation of 5,8-dideazafolate from 10-formyl-5,80-dideazafolic acid measured every 1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProton-coupled folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50354833(AGF94 | CHEMBL1834488)
Affinity DataKi:  130nMpH: 5.5Assay Description:Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 5.5 by dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProton-coupled folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50354833(AGF94 | CHEMBL1834488)
Affinity DataKi:  140nMAssay Description:Inhibition of human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as reduction in [3H]MTX uptake at pH 5.5 measured over 2 mins by Dixon ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProton-coupled folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50354833(AGF94 | CHEMBL1834488)
Affinity DataKi:  330nMpH: 5.5Assay Description:Inhibition of PCFT (unknown origin) expressed in Chinese hamster R2/PCFT4 cells assessed as reduction in PCFT-mediated [3H]MTX transport at pH 5.5 an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProton-coupled folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50354833(AGF94 | CHEMBL1834488)
Affinity DataKi:  1.82E+3nMpH: 6.8Assay Description:Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 6.8 by dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed