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BDBM50349923 CHEMBL1814731

SMILES: Fc1ccc(cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=OXDAHGHESMCUFV-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 = 50349923   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50349923
PNG
(CHEMBL1814731)
Show SMILES Fc1ccc(cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26FN3O/c25-18-13-11-17(12-14-18)24(29)27-16-6-5-15-26-23-19-7-1-3-9-21(19)28-22-10-4-2-8-20(22)23/h1,3,7,9,11-14H,2,4-6,8,10,15-16H2,(H,26,28)(H,27,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0354n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of BChE by Ellman's method


Eur J Med Chem 46: 3250-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.038
BindingDB Entry DOI: 10.7270/Q2J67H9J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50349923
PNG
(CHEMBL1814731)
Show SMILES Fc1ccc(cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26FN3O/c25-18-13-11-17(12-14-18)24(29)27-16-6-5-15-26-23-19-7-1-3-9-21(19)28-22-10-4-2-8-20(22)23/h1,3,7,9,11-14H,2,4-6,8,10,15-16H2,(H,26,28)(H,27,29)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.784n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of AChE by Ellman's method


Eur J Med Chem 46: 3250-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.038
BindingDB Entry DOI: 10.7270/Q2J67H9J
More data for this
Ligand-Target Pair