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BDBM50345207 CHEMBL1783243::N-(8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl)isonicotinamide

SMILES: O=C(NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccncc1

InChI Key: InChIKey=DPSOIKALXFWJTR-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 = 50345207   
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 (BuChE)


(Equus caballus (Horse))
BDBM50345207
PNG
(CHEMBL1783243 | N-(8-(1,2,3,4-tetrahydroacridin-9-...)
Show SMILES O=C(NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccncc1
Show InChI InChI=1S/C27H34N4O/c32-27(21-15-19-28-20-16-21)30-18-10-4-2-1-3-9-17-29-26-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,29,31)(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38.7n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50345207
PNG
(CHEMBL1783243 | N-(8-(1,2,3,4-tetrahydroacridin-9-...)
Show SMILES O=C(NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccncc1
Show InChI InChI=1S/C27H34N4O/c32-27(21-15-19-28-20-16-21)30-18-10-4-2-1-3-9-17-29-26-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,29,31)(H,30,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38.5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)

More data for this
Ligand-Target Pair