BDBM50027655 CHEBI:5847::Raltitrexed::Tomudex::US9422297, Raltitrexed::ZD-16::ZD-1694

SMILES CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI Key InChIKey=IVTVGDXNLFLDRM-UHFFFAOYSA-N

Data  22 IC50

PDB links: 16 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50027655   

TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
National Institute of Technology Durgapur

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 120nMAssay Description:Inhibition of human recombinant G9a (785 to 1210 residues) using Histone H3 and SAM as substrate incubated for 2 hrs by chemiluminescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetThymidylate synthase(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 9nMAssay Description:Inhibition of Thymidylate synthase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 9nMAssay Description:Inhibition of DHFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetReduced folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 6.30nMAssay 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 beta(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 22nMAssay 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
TargetProton-coupled folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 100nMAssay 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
TargetFolate receptor alpha(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
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
TargetFolate receptor alpha(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 15nMAssay 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 beta(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 746nMAssay 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
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Panjab University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of various kinase enzyme.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Rat)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 380nMAssay Description:Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2019
Entry Details Article
PubMed
TargetReduced folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 6.30nMAssay 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 Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetFolate receptor alpha(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 15nMAssay 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 Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetFolate receptor alpha(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
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 Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetFolate receptor beta(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 22nMAssay 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 Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetFolate receptor beta(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 746nMAssay 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 Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetProton-coupled folate transporter(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 100nMAssay 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 Depth
Date in BDB:
3/8/2016
Entry Details Article
PubMed
TargetThymidylate synthase(Escherichia coli (strain K12))
Duquesne University of The Holy Ghost

US Patent
LigandPNGBDBM50027655(CHEBI:5847 | Raltitrexed | Tomudex | ZD-16 | ZD-16...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of various kinase enzyme.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)