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BDBM36452 6-[[(3-Carboxy-benzylidene)-aminooxy]ethoxyimino]methyl]uracil, 14::CID25210531

SMILES: OC(=O)c1cccc(\C=N\OCCO\N=C\c2cc(=O)[nH]c(=O)[nH]2)c1

InChI Key: InChIKey=TUYDQQMKXSQIQG-GONBZBRSSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 36452   
Target
(Institution)
LigandTarget
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
Uracil-DNA glycosylase (UNG)


(Homo sapiens (Human))
BDBM36452
PNG
(6-[[(3-Carboxy-benzylidene)-aminooxy]ethoxyimino]m...)
Show SMILES OC(=O)c1cccc(\C=N\OCCO\N=C\c2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-5-4-24-16-8-10-2-1-3-11(6-10)14(21)22/h1-3,6-9H,4-5H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 4.00E+4n/an/an/an/a8.0n/a



Johns Hopkins University



Assay Description
Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)