Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
ChEMBL ligand: CHEMBL225071 (Raltitrexed, Tomudex, ZD-16, ZD-1694, ZD1694) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1809] [UniProtKB: P0ABQ4] | ||||||||
ChEMBL | Inhibition of Escherichia coli DHFR | B | 4.64 | pIC50 | 23000 | nM | IC50 | J Med Chem (2005) 48: 7215-7222 [PMID:16279780] |
ChEMBL | Inhibition of Escherichia coli DHFR at 30 degC under pH 7.4 by spectrophotometry | B | 4.64 | pIC50 | 23000 | nM | IC50 | Bioorg Med Chem (2010) 18: 953-961 [PMID:20056546] |
Dihydrofolate reductase in Toxoplasma gondii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2425] [UniProtKB: Q07422] | ||||||||
ChEMBL | Inhibition of Toxoplasma gondii DHFR | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (2005) 48: 7215-7222 [PMID:16279780] |
ChEMBL | Inhibition of Toxoplasma gondii DHFR at 30 degC under pH 7.4 by spectrophotometry | B | 5.64 | pIC50 | 2300 | nM | IC50 | Bioorg Med Chem (2010) 18: 953-961 [PMID:20056546] |
ChEMBL | Inhibition of Toxoplasma gondii thymidylate synthase | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (2005) 48: 7215-7222 [PMID:16279780] |
ChEMBL | Inhibition of Toxoplasma gondii TS at 30 degC under pH 7.4 by spectrophotometry | B | 6.05 | pIC50 | 900 | nM | IC50 | Bioorg Med Chem (2010) 18: 953-961 [PMID:20056546] |
ChEMBL | Inhibition of Toxoplasma gondii thymidylate synthase | B | 6.32 | pIC50 | 480 | nM | IC50 | Bioorg Med Chem (2012) 20: 4217-4225 [PMID:22739090] |
dihydrofolate reductase/Dihydrofolate reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374] | ||||||||
ChEMBL | Inhibition of human DHFR | B | 4.68 | pIC50 | 21000 | nM | IC50 | J Med Chem (2005) 48: 7215-7222 [PMID:16279780] |
ChEMBL | Inhibition of human DHFR at 30 degC under pH 7.4 by spectrophotometry | B | 4.68 | pIC50 | 21000 | nM | IC50 | Bioorg Med Chem (2010) 18: 953-961 [PMID:20056546] |
folate receptor alpha/Folate receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2121] [GtoPdb: 3212] [UniProtKB: P15328] | ||||||||
ChEMBL | Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs in presence of 200 nM folic acid by Celltiter-blue cell viability assay | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2014) 57: 8152-8166 [PMID:25234128] |
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 | Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (2014) 57: 8152-8166 [PMID:25234128] |
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 | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (2018) 61: 2027-2040 [PMID:29425443] |
Folate receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5064] [UniProtKB: P14207] | ||||||||
ChEMBL | Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs in presence of 200 nM folic acid by Celltiter-blue cell viability assay | B | 6.13 | pIC50 | 746 | nM | IC50 | J Med Chem (2014) 57: 8152-8166 [PMID:25234128] |
ChEMBL | Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 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 | 6.13 | pIC50 | 746 | nM | IC50 | J Med Chem (2018) 61: 2027-2040 [PMID:29425443] |
ChEMBL | Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (2014) 57: 8152-8166 [PMID:25234128] |
ChEMBL | Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay | B | 7.66 | pIC50 | 22 | 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 | Inhibition of RFC (unknown origin) expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay | B | 8.2 | pIC50 | 6.3 | nM | IC50 | J Med Chem (2014) 57: 8152-8166 [PMID:25234128] |
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 | 8.2 | pIC50 | 6.3 | 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 | Inhibition of PCFT (unknown origin) expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay | B | 7 | pIC50 | 99.5 | nM | IC50 | J Med Chem (2014) 57: 8152-8166 [PMID:25234128] |
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 | pIC50 | 99.5 | nM | IC50 | J Med Chem (2018) 61: 2027-2040 [PMID:29425443] |
Thymidylate synthase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6137] [UniProtKB: C3SWJ7] | ||||||||
ChEMBL | Inhibitory concentration against Escherichia coli thymidylate synthase | B | 4.24 | pIC50 | 57000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2225-2230 [PMID:15837298] |
ChEMBL | Compound was evaluated as inhibitor of Escherichia coli thymidylate synthase | B | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2003) 46: 591-600 [PMID:12570380] |
ChEMBL | Inhibitory concentration against isolated Escherichia coli Thymidylate synthase | B | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2000) 43: 3837-3851 [PMID:11052789] |
ChEMBL | Inhibition of TS from Escherichia coli | B | 5.24 | pIC50 | 5700 | nM | IC50 | J Med Chem (2006) 49: 1055-1065 [PMID:16451071] |
ChEMBL | Inhibition of Escherichia coli thymidylate synthase | B | 5.24 | pIC50 | 5700 | nM | IC50 | J Med Chem (2004) 47: 6730-6739 [PMID:15615522] |
ChEMBL | Inhibition of Escherichia coli thymidylate synthase | B | 5.24 | pIC50 | 5700 | nM | IC50 | J Med Chem (2005) 48: 7215-7222 [PMID:16279780] |
ChEMBL | The inhibitory concentration of compound was evaluated on Escherichia coli thymidylate synthase | B | 5.28 | pIC50 | 5300 | nM | IC50 | J Med Chem (1996) 39: 4563-4568 [PMID:8917644] |
Thymidylate synthase in Lactobacillus casei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5328] [UniProtKB: P00469] | ||||||||
ChEMBL | The inhibitory concentration of compound was evaluated on Lactobacillus casei thymidylate synthase | B | 5.06 | pIC50 | 8800 | nM | IC50 | J Med Chem (1996) 39: 4563-4568 [PMID:8917644] |
ChEMBL | Compound was evaluated as inhibitor of Lactobacillus casei thymidylate synthase | B | 5.1 | pIC50 | 8000 | nM | IC50 | J Med Chem (2003) 46: 591-600 [PMID:12570380] |
ChEMBL | Inhibitory concentration against isolated Lactobacillus casei Thymidylate synthase | B | 5.1 | pIC50 | 8000 | nM | IC50 | J Med Chem (2000) 43: 3837-3851 [PMID:11052789] |
thymidylate synthetase/Thymidylate synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1952] [GtoPdb: 2642] [UniProtKB: P04818] | ||||||||
ChEMBL | Inhibition Assay: Inhibition of various kinase enzyme. | B | 4.54 | pIC50 | 29000 | nM | IC50 | US-9422297-B2. Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof (2016) |
ChEMBL | The inhibitory concentration of compound was evaluated on Streptococcus faecium thymidylate synthase | B | 5.06 | pIC50 | 8800 | nM | IC50 | J Med Chem (1996) 39: 4563-4568 [PMID:8917644] |
ChEMBL | Inhibitory concentration against isolated Thymidylate synthase | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2000) 43: 3837-3851 [PMID:11052789] |
ChEMBL | Compound was evaluated as inhibitor of human thymidylate synthase | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2003) 46: 591-600 [PMID:12570380] |
ChEMBL | The inhibitory concentration of compound was evaluated on Human thymidylate synthase | B | 6.06 | pIC50 | 880 | nM | IC50 | J Med Chem (1996) 39: 4563-4568 [PMID:8917644] |
ChEMBL | Inhibition of thymidylate synthase | B | 6.17 | pIC50 | 676.08 | nM | IC50 | Eur J Med Chem (2010) 45: 1560-1571 [PMID:20153089] |
ChEMBL | The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase | B | 6.28 | pIC50 | 530 | nM | IC50 | J Med Chem (1996) 39: 4563-4568 [PMID:8917644] |
ChEMBL | Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method | B | 6.42 | pIC50 | 380 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1602-1607 [PMID:28258797] |
ChEMBL | Inhibitory concentration against human thymidylate synthase | B | 6.42 | pIC50 | 380 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2225-2230 [PMID:15837298] |
ChEMBL | Inhibition of recombinant human TS | B | 6.42 | pIC50 | 380 | nM | IC50 | J Med Chem (2006) 49: 1055-1065 [PMID:16451071] |
ChEMBL | Inhibition of human thymidylate synthase | B | 6.42 | pIC50 | 380 | nM | IC50 | J Med Chem (2004) 47: 6730-6739 [PMID:15615522] |
ChEMBL | Inhibition of human thymidylate synthase | B | 6.42 | pIC50 | 380 | nM | IC50 | J Med Chem (2005) 48: 7215-7222 [PMID:16279780] |
ChEMBL | Inhibition of human thymidylate synthase at 30 degC under pH 7.4 by spectrophotometry | B | 6.42 | pIC50 | 380 | nM | IC50 | Bioorg Med Chem (2010) 18: 953-961 [PMID:20056546] |
ChEMBL | Inhibition of human thymidylate synthase by spectrophotometric analysis | B | 6.42 | pIC50 | 380 | nM | IC50 | Bioorg Med Chem (2013) 21: 2286-2297 [PMID:23490159] |
ChEMBL | Inhibition of human thymidylate synthase | B | 6.54 | pIC50 | 290 | nM | IC50 | Bioorg Med Chem (2012) 20: 4217-4225 [PMID:22739090] |
ChEMBL | Inhibition of human thymidylate synthase | B | 6.54 | pIC50 | 290 | nM | IC50 | J Med Chem (2010) 53: 1563-1578 [PMID:20092323] |
GtoPdb | - | - | 6.54 | pIC50 | 290 | nM | IC50 | Bioorg Med Chem (2012) 20: 4217-25 [PMID:22739090] |
ChEMBL | Inhibition of human recombinant His-tagged thymidylate synthase assessed as N5,N10-methylenetetrahydrofolate oxidation to dihydrofolate after 20 mins by UV spectrophotometric analysis | B | 6.59 | pIC50 | 260 | nM | IC50 | Eur J Med Chem (2013) 64: 401-409 [PMID:23665106] |
thymidylate synthetase/Thymidylate synthase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3160] [GtoPdb: 2642] [UniProtKB: P07607] | ||||||||
ChEMBL | Compound was evaluated for inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells that overproduce thymidylate synthase due to amplification of TS gene | B | 6.38 | pKi | 418 | nM | Ki | J Med Chem (1992) 35: 859-866 [PMID:1372358] |
GtoPdb | - | - | 6.38 | pKi | 418 | nM | Ki | J Med Chem (1992) 35: 859-66 [PMID:1372358] |
ChEMBL | Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cells | B | 6.17 | pIC50 | 670 | nM | IC50 | J Med Chem (1999) 42: 3809-3820 [PMID:10508430] |
ChEMBL | In vitro inhibition against L1210 thymidylate synthase (TS) | B | 6.17 | pIC50 | 670 | nM | IC50 | J Med Chem (1991) 34: 2209-2218 [PMID:2066994] |
thymidylate synthetase/Thymidylate synthase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4341] [GtoPdb: 2642] [UniProtKB: P45352] | ||||||||
ChEMBL | Inhibitory concentration against isolated rat thymidylate synthase | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (2000) 43: 3837-3851 [PMID:11052789] |
Thymidylate synthase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2555] [UniProtKB: P0A884] | ||||||||
ChEMBL | Inhibition Assay: Inhibition of various kinase enzyme. | B | 5.64 | pIC50 | 2300 | nM | IC50 | US-9422297-B2. Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof (2016) |
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]