BDBM50354833 AGF94::CHEMBL1834488
SMILES: Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=WMBYSCVMFMNUQV-LBPRGKRZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 68 | 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 | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 68 | 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 | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 5.5 by dixon plot analysis | J Med Chem 54: 7150-64 (2011) Article DOI: 10.1021/jm200739e BindingDB Entry DOI: 10.7270/Q2G16174 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 140 | 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)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 330 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
Duquesne University Curated by ChEMBL | Assay 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... | 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 | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.8 | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 6.8 by dixon plot analysis | J Med Chem 54: 7150-64 (2011) Article DOI: 10.1021/jm200739e BindingDB Entry DOI: 10.7270/Q2G16174 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 101 | 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 | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | 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 assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs by ion-exchang... | 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)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 101 | 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: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.380 | 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: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 173 | 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 in ... | J Med Chem 58: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.170 | 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 cell growth inhibition after 96 hrs by CellTiter-Blue assay | J Med Chem 58: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 126 | 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 cell growth inhibition after 96 hrs by CellTiter-Blue assay in pre... | J Med Chem 58: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.5 | 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 FRalpha/PCFT/RFC assessed as incorporation of [14C(U)]-glycine into [14C]-formyl GAR preincubated... | J Med Chem 58: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 106 | 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 | |||||||||||||
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80 | 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 receptor alpha (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.310 | 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 | |||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 444 | 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 | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | 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 | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30 | 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 | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.160 | 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 | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 53 | 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 alpha (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.310 | 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 receptor alpha (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | 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 beta (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.170 | 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 | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | 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 | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30 | 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 | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 68 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Duquesne University | Assay Description GARFTase activity was determined by measuring the rate of 5,8-dideazatetrahydrofolate production in the presence of varying concentrations of antifol... | Biochemistry 55: 4574-82 (2016) Article DOI: 10.1021/acs.biochem.6b00412 BindingDB Entry DOI: 10.7270/Q270806H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50354833 (AGF94 | CHEMBL1834488) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.30 | 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 cell growth inhibition after 96 hrs by CellTiter-Blue assay | J Med Chem 58: 6938-59 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K3P | |||||||||||
More data for this Ligand-Target Pair |