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BDBM225279 5-Methoxy-2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-benzo[d]imidazole (3g)

SMILES: COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=HQWKSVWOKOXJSO-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 = 225279   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM225279
PNG
(5-Methoxy-2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-...)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H24N4O/c1-29-21-11-12-22-23(17-21)26-24(25-22)18-7-9-20(10-8-18)28-15-13-27(14-16-28)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/a8.025



Hacettepe University



Assay Description
Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...


Bioorg Chem 72: 208-214 (2017)


BindingDB Entry DOI: 10.7270/Q2JM28HK
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM225279
PNG
(5-Methoxy-2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-...)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H24N4O/c1-29-21-11-12-22-23(17-21)26-24(25-22)18-7-9-20(10-8-18)28-15-13-27(14-16-28)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/a8.025



Hacettepe University



Assay Description
Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...


Bioorg Chem 72: 208-214 (2017)


BindingDB Entry DOI: 10.7270/Q2JM28HK
More data for this
Ligand-Target Pair