BDBM50534430 CHEMBL4471269
SMILES: Nc1nc2[nH]c(CCN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=CYOOKDIMCAPJGV-HNNXBMFYSA-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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Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50534430 (CHEMBL4471269) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 99 | 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 | |||||||||||||
Proton-coupled folate transporter (Homo sapiens (Human)) | BDBM50534430 (CHEMBL4471269) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 730 | 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 | |||||||||||||
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50534430 (CHEMBL4471269) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.10 | 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/FR-alpha/PCFT assessed as decrease in incorporation of [14C(U)]-glycine into [14C]formyl GAR ... | J Med Chem 59: 7856-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00594 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate transporter 1 (Homo sapiens (Human)) | BDBM50534430 (CHEMBL4471269) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 642 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viability aft... | 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)) | BDBM50534430 (CHEMBL4471269) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 89 | 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 antiproliferative activity measured as reduction in cell viability a... | J Med Chem 59: 7856-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00594 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Folate receptor beta (Homo sapiens (Human)) | BDBM50534430 (CHEMBL4471269) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viabi... | 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)) | BDBM50534430 (CHEMBL4471269) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell vi... | J Med Chem 59: 7856-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00594 | |||||||||||
More data for this Ligand-Target Pair |