BindingDB logo
myBDB logout

null

SMILES: C(CCCNc1c2CCCc2nc2ccccc12)CCNCc1cc2ccccc2o1

InChI Key: InChIKey=BFCQNBAYDZOIHV-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 = 50138431   
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))		BDBM50138431
PNG
(CHEMBL3751941)
Show SMILES C(CCCNc1c2CCCc2nc2ccccc12)CCNCc1cc2ccccc2o1
Show InChI InChI=1S/C27H31N3O/c1(7-16-28-19-21-18-20-10-3-6-15-26(20)31-21)2-8-17-29-27-22-11-4-5-13-24(22)30-25-14-9-12-23(25)27/h3-6,10-11,13,15,18,28H,1-2,7-9,12,14,16-17,19H2,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 47n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...

J Med Chem 59: 114-31 (2016)


BindingDB Entry DOI: 10.7270/Q2S75J5X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50138431
PNG
(CHEMBL3751941)
Show SMILES C(CCCNc1c2CCCc2nc2ccccc12)CCNCc1cc2ccccc2o1
Show InChI InChI=1S/C27H31N3O/c1(7-16-28-19-21-18-20-10-3-6-15-26(20)31-21)2-8-17-29-27-22-11-4-5-13-24(22)30-25-14-9-12-23(25)27/h3-6,10-11,13,15,18,28H,1-2,7-9,12,14,16-17,19H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...

J Med Chem 59: 114-31 (2016)


BindingDB Entry DOI: 10.7270/Q2S75J5X
More data for this
Ligand-Target Pair