BDBM50457437 CHEBI:71223::Folotyn::PDX::Pralatrexate

SMILES [H][C@@](CCC(O)=O)(NC(=O)c1ccc(cc1)C(CC#C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O

InChI Key InChIKey=OGSBUKJUDHAQEA-UHFFFAOYSA-N

Data  5 KI  4 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 9 hits for monomerid = 50457437   

TargetProton-coupled folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataIC50: 57nMAssay 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
TargetReduced folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataIC50: 0.690nMAssay 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
TargetFolate receptor alpha(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataIC50: 168nMAssay 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
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataIC50: 1.00E+3nMAssay 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
TargetDihydrofolate reductase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of DHFR (unknown origin) at pH 6.7More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataKi: >1.50E+5nMAssay Description:Binding affinity to N-terminal 6His-tagged human GARFTase (808 to 1010 residues) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataKi: >2.00E+5nMAssay Description:Binding affinity to N-terminal 6His-tagged full length human ATIC expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibition constant b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetSerine hydroxymethyltransferase, cytosolic(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataKi: >2.00E+5nMAssay Description:Binding affinity to N-terminal 6His-tagged full length truncated SHMT1 (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetSerine hydroxymethyltransferase, mitochondrial(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataKi: >2.00E+5nMAssay Description:Binding affinity to N-terminal 6His-tagged truncated SHMT2 (30 to 504 residues) (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed