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BDBM50131913 1-(4,5-Bis-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL124260

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

InChI Key: InChIKey=QWMUYDQSNZFVTG-IWSPIJDZSA-N

Data: 2 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50131913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131913
PNG
(1-(4,5-Bis-hydroxymethyl-tetrahydro-furan-2-yl)-5-...)
Show SMILES Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-7(4-14)8(5-15)18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.10E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50131913
PNG
(1-(4,5-Bis-hydroxymethyl-tetrahydro-furan-2-yl)-5-...)
Show SMILES Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-7(4-14)8(5-15)18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)


J Med Chem 46: 3811-21 (2003)


Article DOI: 10.1021/jm021108n
BindingDB Entry DOI: 10.7270/Q2MS3TGG
More data for this
Ligand-Target Pair