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BDBM50053453 CHEMBL3323066

SMILES: O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCCC3)cc12

InChI Key: InChIKey=UHHRCQCMWYTYSN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50053453   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053453
PNG
(CHEMBL3323066)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C22H31N3O2/c26-22-19-17-18(27-16-8-14-24-12-5-1-2-6-13-24)10-11-20(19)23-21-9-4-3-7-15-25(21)22/h10-11,17H,1-9,12-16H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50053453
PNG
(CHEMBL3323066)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C22H31N3O2/c26-22-19-17-18(27-16-8-14-24-12-5-1-2-6-13-24)10-11-20(19)23-21-9-4-3-7-15-25(21)22/h10-11,17H,1-9,12-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50053453
PNG
(CHEMBL3323066)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C22H31N3O2/c26-22-19-17-18(27-16-8-14-24-12-5-1-2-6-13-24)10-11-20(19)23-21-9-4-3-7-15-25(21)22/h10-11,17H,1-9,12-16H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50053453
PNG
(CHEMBL3323066)
Show SMILES O=c1n2CCCCCc2nc2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C22H31N3O2/c26-22-19-17-18(27-16-8-14-24-12-5-1-2-6-13-24)10-11-20(19)23-21-9-4-3-7-15-25(21)22/h10-11,17H,1-9,12-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE


Bioorg Med Chem 22: 4867-81 (2014)


Article DOI: 10.1016/j.bmc.2014.06.045
BindingDB Entry DOI: 10.7270/Q25X2BK0
More data for this
Ligand-Target Pair