pralatrexate [Ligand Id: 6840] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1201746 (Folotyn, NSC-754230, PDX, Pralatrexate)
  • folate receptor alpha/Folate receptor alpha in Human [ChEMBL: CHEMBL2121] [GtoPdb: 3212] [UniProtKB: P15328]
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  • Reduced folate transporter 1/Folate transporter 1 in Human [ChEMBL: CHEMBL4833] [GtoPdb: 1014] [UniProtKB: P41440]
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  • dihydrofolate reductase in Human [GtoPdb: 2603] [UniProtKB: P00374]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
folate receptor alpha/Folate receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2121] [GtoPdb: 3212] [UniProtKB: P15328]
ChEMBL Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs in presence of folic acid by Cell-Titer Blue assay B 6 pIC50 >1000 nM IC50 J Med Chem (2018) 61: 2027-2040 [PMID:29425443]
ChEMBL Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay B 6.77 pIC50 168 nM IC50 J Med Chem (2018) 61: 2027-2040 [PMID:29425443]
Reduced folate transporter 1/Folate transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4833] [GtoPdb: 1014] [UniProtKB: P41440]
ChEMBL Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay B 9.16 pIC50 0.69 nM IC50 J Med Chem (2018) 61: 2027-2040 [PMID:29425443]
Proton-coupled folate transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795188] [GtoPdb: 1213] [UniProtKB: Q96NT5]
ChEMBL Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay B 7.24 pIC50 57 nM IC50 J Med Chem (2018) 61: 2027-2040 [PMID:29425443]
dihydrofolate reductase in Human [GtoPdb: 2603] [UniProtKB: P00374]
GtoPdb - - 7.35 pKi 45 nM Ki Cancer Chemother Pharmacol (2009) 64: 993-9 [PMID:19221750]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]