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SMILES: Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=ONXBROBTQDOBSV-UHFFFAOYSA-N

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 = 50099589   
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


(Electrophorus electricus (Electric eel))
BDBM50099589
PNG
(CHEMBL3343883)
Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H27N5O/c1-17-26-21(18-8-2-5-11-22(18)33-26)16-25(31-17)28(34)30-15-14-29-27-19-9-3-6-12-23(19)32-24-13-7-4-10-20(24)27/h2-3,5-6,8-9,11-12,16,33H,4,7,10,13-15H2,1H3,(H,29,32)(H,30,34)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 485n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50099589
PNG
(CHEMBL3343883)
Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H27N5O/c1-17-26-21(18-8-2-5-11-22(18)33-26)16-25(31-17)28(34)30-15-14-29-27-19-9-3-6-12-23(19)32-24-13-7-4-10-20(24)27/h2-3,5-6,8-9,11-12,16,33H,4,7,10,13-15H2,1H3,(H,29,32)(H,30,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 539n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair