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BDBM50234769 CHEMBL4095908

SMILES: COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12

InChI Key:

Data: 1 KI  3 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 = 50234769   
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))
BDBM50234769
PNG
(CHEMBL4095908)
Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
870n/an/an/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL




Eur J Med Chem 126: 576-589 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50234769
PNG
(CHEMBL4095908)
Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL




Eur J Med Chem 126: 576-589 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50234769
PNG
(CHEMBL4095908)
Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL




Eur J Med Chem 126: 576-589 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50234769
PNG
(CHEMBL4095908)
Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 750n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL




Eur J Med Chem 126: 576-589 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair