BDBM50027656 CHEBI:63616::LY-2315::LY-231514::PEMETREXED::US9422297, Pemetrexed
SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
InChI Key InChIKey=WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 40 hits for monomerid = 50027656
Affinity DataKi: 1.30nMAssay Description:Inhibition of thymidylate synthase (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 7.20nMAssay Description:Inhibition of DHFR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Zhengzhou University
Curated by ChEMBL
Zhengzhou University
Curated by ChEMBL
Affinity DataKi: 65nMAssay Description:Inhibition of GARFT (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 94nMAssay Description:Inhibition of [3H]MTX uptake at human PCFT expressed in Chinese hamster R2/PCFT4 cells at pH 5.5 measured after 5 mins by Dixon plot analysisMore data for this Ligand-Target Pair
Affinity DataKi: 120nMAssay Description:Inhibition of human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as reduction in [3H]MTX uptake at pH 5.5 measured over 2 mins by Dixon ...More data for this Ligand-Target Pair
Affinity DataKi: 259nMAssay Description:Inhibition of [3H]MTX uptake at human PCFT expressed in Chinese hamster R2/PCFT4 cells at pH 5.5 measured after 2 mins by Dixon plot analysisMore data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Zhengzhou University
Curated by ChEMBL
Zhengzhou University
Curated by ChEMBL
Affinity DataKi: 1.00E+3nMAssay 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
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Zhengzhou University
Curated by ChEMBL
Zhengzhou University
Curated by ChEMBL
Affinity DataKi: 1.00E+3nMAssay Description:Inhibition of recombinant N-terminal 6His-tagged human GARFTase assessed as formation of 5,8-dideazafolate from 10-formyl-5,8-dideazafolic acid measu...More data for this Ligand-Target Pair
TargetBifunctional purine biosynthesis protein ATIC(Human)
Wayne State University School of Medicine
Curated by ChEMBL
Wayne State University School of Medicine
Curated by ChEMBL
Affinity DataKi: >2.00E+5nMAssay Description:Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...More data for this Ligand-Target Pair
Affinity DataIC50: 13nMAssay 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
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Zhengzhou University
Curated by ChEMBL
Zhengzhou University
Curated by ChEMBL
Affinity DataIC50: 12nMAssay Description:Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon...More data for this Ligand-Target Pair
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric methodMore data for this Ligand-Target Pair
TargetBifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3(Human)
Hebei Medical University
Curated by ChEMBL
Hebei Medical University
Curated by ChEMBL
Affinity DataIC50: 70nMAssay Description:Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 138nMAssay 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
Affinity DataIC50: 13nMAssay 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
Affinity DataIC50: 42nMAssay 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
Affinity DataIC50: 894nMAssay 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
Affinity DataIC50: 254nMAssay 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
Affinity DataIC50: 60nMAssay 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
Affinity DataIC50: 60nMAssay Description:Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...More data for this Ligand-Target Pair
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Zhengzhou University
Curated by ChEMBL
Zhengzhou University
Curated by ChEMBL
Affinity DataIC50: 29nMAssay Description:Inhibition of GARFTase in human IGROV1 cells assessed as decrease in incorporation of [14C(U)glycine into [14C]formyl GAR formation after 24 hrsMore data for this Ligand-Target Pair
Affinity DataIC50: 26nMAssay Description:Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell growth ...More data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell growth...More data for this Ligand-Target Pair
Affinity DataIC50: 67nMAssay Description:Binding affinity to human PCFT4 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after...More data for this Ligand-Target Pair
Affinity DataIC50: 863nMAssay Description:Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...More data for this Ligand-Target Pair
Affinity DataIC50: 24nMAssay Description:Binding affinity to human RFC2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after ...More data for this Ligand-Target Pair
Affinity DataIC50: 8.30nMAssay Description:Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell growt...More data for this Ligand-Target Pair
Affinity DataIC50: 68nMAssay Description:Inhibition of DHFR in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs by Cell-Titer Blue assayMore data for this Ligand-Target Pair
Affinity DataIC50: 327nMAssay Description:Inhibition of DHFR in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs in presence of folic acid by Cell-...More data for this Ligand-Target Pair
Affinity DataIC50: 5.39E+3nMAssay Description:Inhibition of human thymidylate synthase expressed in Escherichia coli using 6R,S-tetrahydrofolate and dUMP as substrate by spectrophotometric analys...More data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay 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
Affinity DataIC50: 138nMAssay 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
Affinity DataIC50: 138nMAssay 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
Affinity DataIC50: 42nMAssay 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
Affinity DataIC50: 388nMAssay 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
Affinity DataIC50: 60nMAssay 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
Affinity DataIC50: 254nMAssay 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
Affinity DataIC50: 13nMAssay 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
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of various kinase enzyme.More data for this Ligand-Target Pair
TargetThymidylate synthase(Escherichia coli (strain K12))
Duquesne University of The Holy Ghost
US Patent
Duquesne University of The Holy Ghost
US Patent
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of various kinase enzyme.More data for this Ligand-Target Pair