ChEMBL ligand: CHEMBL225071 (Raltitrexed, Tomudex, ZD-16, ZD-1694, ZD1694)
Dihydrofolate reductase in Escherichia coli [ChEMBL: CHEMBL1809] [UniProtKB: P0ABQ4] Dihydrofolate reductase in Toxoplasma gondii [ChEMBL: CHEMBL2425] [UniProtKB: Q07422] dihydrofolate reductase/Dihydrofolate reductase in Human [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374] There should be some charts here, you may need to enable JavaScript!
folate receptor alpha/Folate receptor alpha in Human [ChEMBL: CHEMBL2121] [GtoPdb: 3212] [UniProtKB: P15328] There should be some charts here, you may need to enable JavaScript!
Folate receptor beta in Human [ChEMBL: CHEMBL5064] [UniProtKB: P14207] There should be some charts here, you may need to enable JavaScript!
Reduced folate transporter 1/Folate transporter 1 in Human [ChEMBL: CHEMBL4833] [GtoPdb: 1014] [UniProtKB: P41440] There should be some charts here, you may need to enable JavaScript!
Proton-coupled folate transporter in Human [ChEMBL: CHEMBL1795188] [GtoPdb: 1213] [UniProtKB: Q96NT5] There should be some charts here, you may need to enable JavaScript!
Thymidylate synthase in Escherichia coli [ChEMBL: CHEMBL6137] [UniProtKB: C3SWJ7] Thymidylate synthase in Lactobacillus casei [ChEMBL: CHEMBL5328] [UniProtKB: P00469] thymidylate synthetase/Thymidylate synthase in Human [ChEMBL: CHEMBL1952] [GtoPdb: 2642] [UniProtKB: P04818] thymidylate synthetase/Thymidylate synthase in Mouse [ChEMBL: CHEMBL3160] [GtoPdb: 2642] [UniProtKB: P07607] thymidylate synthetase/Thymidylate synthase in Rat [ChEMBL: CHEMBL4341] [GtoPdb: 2642] [UniProtKB: P45352] Thymidylate synthase in Escherichia coli [ChEMBL: CHEMBL2555] [UniProtKB: P0A884] 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]