BDBM50457435 CHEMBL4214638

SMILES Nc1nc2[nH]c(CCCCc3ccc(nc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=FSOJIOKMUXQEMI-UHFFFAOYSA-N

Data  2 KI  15 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 8 hits for monomerid = 50457435   

TargetFolate receptor beta(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataIC50: 471nMAssay Description:Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetFolate receptor beta(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataIC50: 0.580nMAssay Description:Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of GARFTase in human KB cells assessed as decrease in [14C]formyl GAR accumulation preincubated for 30 mins followed by [14C]glycine addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetFolate receptor alpha(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataIC50: 1.30nMAssay Description:Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetFolate receptor alpha(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataIC50: 687nMAssay Description:Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetReduced folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viabili...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetProton-coupled folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataIC50: 58nMAssay Description:Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell viabi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetProton-coupled folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457435(CHEMBL4214638)
Affinity DataKi:  332nMAssay Description:Inhibition of [3H]MTX uptake at human PCFT expressed in Chinese hamster R2/PCFT4 cells at pH 5.5 measured after 2 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed