BDBM50186267 2'-deoxy-5'-uridylic acid::CHEMBL211312::dUMP

SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O

InChI Key InChIKey=JSRLJPSBLDHEIO-SHYZEUOFSA-N

Data  4 KI

PDB links: 5 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 4 hits for monomerid = 50186267   

TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50186267(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKi:  2.26E+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(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50186267(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKi:  6.50E+3nMAssay Description:Competitive inhibition of purified mouse Ehrlich ascites tumor cell thymidylate synthetase using 5-[3H]-2'-deoxyuridine 5'-phosphate as substrate aft...More data for this Ligand-Target Pair
TargetThymidylate synthase(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM50186267(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKi:  8.00E+3nMAssay Description:Competitive inhibition of purified calf thymus thymidylate synthetase using 5-[3H]-2'-deoxyuridine 5'-phosphate as substrate after 7 mins by double r...More data for this Ligand-Target Pair
TargetDeoxyuridine triphosphatase, putative(Trypanosoma cruzi)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50186267(2'-deoxy-5'-uridylic acid | CHEMBL211312 | dUMP)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Affinity DataKi:  1.84E+4nMAssay Description:Inhibition of Trypanosoma cruzi dUTPase at 1 mMMore data for this Ligand-Target Pair