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-WMCAAGNKSA-N

Data  1 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50457437   

TargetDihydrofolate reductase(Homo sapiens (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 DepthDetails PubMed
TargetReduced folate transporter(Homo sapiens (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 DepthDetails ArticlePubMed
TargetFolate receptor alpha(Homo sapiens (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 DepthDetails ArticlePubMed
TargetProton-coupled folate transporter(Homo sapiens (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 DepthDetails ArticlePubMed
TargetFolate receptor alpha(Homo sapiens (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 DepthDetails ArticlePubMed