BDBM50332929 ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate::(R)-1-((4S,5R)-4-Hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::2'-deoxythymidine monophosphate::CHEMBL394429::Phosphoric acid mono-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::THYMIDINE-5'-MONOPHOSPHATE::US11111252, Compound TMP::thymidine monophosphate::thymidine-5'-phosphate

SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O

InChI Key InChIKey=GYOZYWVXFNDGLU-XLPZGREQSA-N

Data  3 KI  2 IC50

PDB links: 13 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50332929   

TargetThymidylate kinase(Mycobacterium tuberculosis)
Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL
LigandPNGBDBM50332929(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Affinity DataKi:  4.50E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50332929(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Affinity DataKi:  8.69E+3nMAssay Description:Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed 5-BrdUMP dehalogenation by absorbance analysis in absence o...More data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50332929(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Affinity DataKi:  1.55E+4nMAssay Description:Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed dTMP formation using dUMP as substrate by spectrophotometri...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM50332929(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Affinity DataIC50: 3.22E+4nMAssay Description:Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis jirovecii)
Duquesne University of The Holy Spirit

US Patent
LigandPNGBDBM50332929(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Affinity DataIC50: 120nMAssay Description:Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR comp...More data for this Ligand-Target Pair