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BDBM20038 5-bromo-6-[3-(hydroxymethyl)piperidin-1-yl]-1,3-diazinane-2,4-dione::uracil, 8

SMILES: OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Br

InChI Key: InChIKey=YUXQJAVLCFEZCS-UHFFFAOYSA-N

Data: 2 IC50

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 = 20038   
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
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20038
PNG
(5-bromo-6-[3-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-2-6(4-14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (Human))
BDBM20038
PNG
(5-bromo-6-[3-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-2-6(4-14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair