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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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 analysis | J Med Chem 59: 7856-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00594 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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 ... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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 analysis | J Med Chem 61: 2027-2040 (2018) Article DOI: 10.1021/acs.jmedchem.7b01708 BindingDB Entry DOI: 10.7270/Q2ST7SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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... | J Med Chem 58: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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... | J Med Chem 59: 7856-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00594 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 388 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs in presence ... | J Med Chem 57: 8152-66 (2014) Article DOI: 10.1021/jm501113m BindingDB Entry DOI: 10.7270/Q2F47QQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter... | J Med Chem 57: 8152-66 (2014) Article DOI: 10.1021/jm501113m BindingDB Entry DOI: 10.7270/Q2F47QQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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-... | J Med Chem 57: 8152-66 (2014) Article DOI: 10.1021/jm501113m BindingDB Entry DOI: 10.7270/Q2F47QQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay | J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay | J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay | J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon... | J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase, type II (Rattus norvegicus) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method | Bioorg Med Chem Lett 27: 1602-1607 (2017) Article DOI: 10.1016/j.bmcl.2017.02.018 BindingDB Entry DOI: 10.7270/Q2P55QR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University Curated by ChEMBL | Assay 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 ... | Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viabili... | J Med Chem 61: 2027-2040 (2018) Article DOI: 10.1021/acs.jmedchem.7b01708 BindingDB Entry DOI: 10.7270/Q2ST7SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell viabi... | J Med Chem 61: 2027-2040 (2018) Article DOI: 10.1021/acs.jmedchem.7b01708 BindingDB Entry DOI: 10.7270/Q2ST7SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c... | J Med Chem 61: 2027-2040 (2018) Article DOI: 10.1021/acs.jmedchem.7b01708 BindingDB Entry DOI: 10.7270/Q2ST7SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 894 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in c... | J Med Chem 61: 2027-2040 (2018) Article DOI: 10.1021/acs.jmedchem.7b01708 BindingDB Entry DOI: 10.7270/Q2ST7SF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell... | J Med Chem 61: 2027-2040 (2018) Article DOI: 10.1021/acs.jmedchem.7b01708 BindingDB Entry DOI: 10.7270/Q2ST7SF1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell... | J Med Chem 61: 2027-2040 (2018) Article DOI: 10.1021/acs.jmedchem.7b01708 BindingDB Entry DOI: 10.7270/Q2ST7SF1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of GARFTase in human IGROV1 cells assessed as decrease in incorporation of [14C(U)glycine into [14C]formyl GAR formation after 24 hrs | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell growth ... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell growth... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human PCFT4 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 863 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human RFC2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after ... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell growt... | J Med Chem 61: 4228-4248 (2018) Article DOI: 10.1021/acs.jmedchem.8b00408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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 assay | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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... | J Med Chem 57: 8152-66 (2014) Article DOI: 10.1021/jm501113m BindingDB Entry DOI: 10.7270/Q2F47QQS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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 ... | J Med Chem 57: 8152-66 (2014) Article DOI: 10.1021/jm501113m BindingDB Entry DOI: 10.7270/Q2F47QQS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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... | J Med Chem 57: 8152-66 (2014) Article DOI: 10.1021/jm501113m BindingDB Entry DOI: 10.7270/Q2F47QQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay 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-... | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University of the Holy Ghost US Patent | Assay Description Inhibition of various kinase enzyme. | US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate Synthase (TS) (Escherichia coli) | BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University of the Holy Ghost US Patent | Assay Description Inhibition of various kinase enzyme. | US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9 | |||||||||||
More data for this Ligand-Target Pair |