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BDBM152547 10-Phenethylbenzo[g]pteridine-2,4(3H,10H)-dione (7o)

SMILES: O=c1nc2n(CCc3ccccc3)c3ccccc3nc2c(=O)[nH]1

InChI Key: InChIKey=KGIJKMUPWGAMNT-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 = 152547   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM152547
PNG
(10-Phenethylbenzo[g]pteridine-2,4(3H,10H)-dione (7...)
Show SMILES O=c1nc2n(CCc3ccccc3)c3ccccc3nc2c(=O)[nH]1
Show InChI InChI=1S/C18H14N4O2/c23-17-15-16(20-18(24)21-17)22(11-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)19-15/h1-9H,10-11H2,(H,21,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.34E+4n/an/an/an/a8.025



The M. S. University of Baroda



Assay Description
Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...


Bioorg Chem 61: 7-12 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.005
BindingDB Entry DOI: 10.7270/Q2WS8S05
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM152547
PNG
(10-Phenethylbenzo[g]pteridine-2,4(3H,10H)-dione (7...)
Show SMILES O=c1nc2n(CCc3ccccc3)c3ccccc3nc2c(=O)[nH]1
Show InChI InChI=1S/C18H14N4O2/c23-17-15-16(20-18(24)21-17)22(11-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)19-15/h1-9H,10-11H2,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.28E+4n/an/an/an/a8.025



The M. S. University of Baroda



Assay Description
Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl...


Bioorg Chem 61: 7-12 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.005
BindingDB Entry DOI: 10.7270/Q2WS8S05
More data for this
Ligand-Target Pair