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ChEMBL ligand: CHEMBL1201746 (Folotyn, NSC-754230, PDX, Pralatrexate) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]