BDBM50126174 CHEMBL3628346

SMILES Nc1nc2[nH]c(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=RMEHPWHLFJJYTB-ZDUSSCGKSA-N

Data  1 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50126174   

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

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataKi:  9.10nMAssay 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
TargetFolate receptor alpha(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataIC50:  0.610nMAssay Description:Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFolate receptor alpha(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataIC50:  506nMAssay Description:Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFolate receptor beta(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataIC50:  654nMAssay Description:Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay in pre...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProton-coupled folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataIC50:  6.5nMAssay Description:Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of GARFTase in human KB cells expressing FRalpha/PCFT/RFC assessed as incorporation of [14C(U)]-glycine into [14C]-formyl GAR preincubated...More data for this Ligand-Target Pair
TargetReduced folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataIC50:  189nMAssay Description:Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFolate receptor beta(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50126174(CHEMBL3628346)
Affinity DataIC50:  0.100nMAssay Description:Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed