BDBM50126174 CHEMBL3628346
SMILES: Nc1nc2[nH]c(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=RMEHPWHLFJJYTB-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 |
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Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50126174 (CHEMBL3628346) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | 9.10 | 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 | 3D Structure (crystal) | ||||||||||||
Folate receptor alpha (Homo sapiens (Human)) | BDBM50126174 (CHEMBL3628346) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 0.610 | 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)) | BDBM50126174 (CHEMBL3628346) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 506 | 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)) | BDBM50126174 (CHEMBL3628346) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 654 | 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 | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50126174 (CHEMBL3628346) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 6.5 | 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 | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50126174 (CHEMBL3628346) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 2.60 | 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 | 3D Structure (crystal) | ||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50126174 (CHEMBL3628346) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 189 | 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 beta (Homo sapiens (Human)) | BDBM50126174 (CHEMBL3628346) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 0.100 | 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 |