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BDBM225274 2-[4-(4-Ethylpiperazin-1-yl)phenyl]-1H-benzo[d]imidazole (3b)

SMILES: CCN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=MJPUSTKHUHNRCG-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 = 225274   
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))
BDBM225274
PNG
(2-[4-(4-Ethylpiperazin-1-yl)phenyl]-1H-benzo[d]imi...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H22N4/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)19-20-17-5-3-4-6-18(17)21-19/h3-10H,2,11-14H2,1H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.49E+4n/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))
BDBM225274
PNG
(2-[4-(4-Ethylpiperazin-1-yl)phenyl]-1H-benzo[d]imi...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H22N4/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)19-20-17-5-3-4-6-18(17)21-19/h3-10H,2,11-14H2,1H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.18E+3n/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