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BDBM36455 6-[4-[(3-Carboxybenzylamino)butylamino]methyl]uracil, 27::CID25210542

SMILES: OC(=O)c1cccc(CNCCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1

InChI Key: InChIKey=PLKKHOGCWCJFJX-UHFFFAOYSA-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 = 36455   
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))
BDBM36455
PNG
(6-[4-[(3-Carboxybenzylamino)butylamino]methyl]urac...)
Show SMILES OC(=O)c1cccc(CNCCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C17H22N4O4/c22-15-9-14(20-17(25)21-15)11-19-7-2-1-6-18-10-12-4-3-5-13(8-12)16(23)24/h3-5,8-9,18-19H,1-2,6-7,10-11H2,(H,23,24)(H2,20,21,22,25)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 3.15E+5n/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)