BDBM50027657 CHEMBL3335607

SMILES CCC[C@H](NC(=O)c1ccc(CCCc2cc3c(nc(N)[nH]c3=O)[nH]2)s1)C(O)=O

InChI Key InChIKey=VQICARSCVQQGJK-ZDUSSCGKSA-N

Data  1 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50027657   

TargetProton-coupled folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027657(CHEMBL3335607)
Affinity DataKi:  2.90E+3nMpH: 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
TargetFolate receptor beta(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027657(CHEMBL3335607)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFolate receptor beta(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027657(CHEMBL3335607)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-bl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFolate receptor alpha(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027657(CHEMBL3335607)
Affinity DataIC50:  56nMAssay Description:Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReduced folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027657(CHEMBL3335607)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of RFC (unknown origin) expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProton-coupled folate transporter(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027657(CHEMBL3335607)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of PCFT (unknown origin) expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltite...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFolate receptor alpha(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027657(CHEMBL3335607)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs in presence ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed