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SMILES: O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12

InChI Key:

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 3 hits for monomerid = 50562046   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50562046
PNG
(CHEMBL4778990)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
87n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50562046
PNG
(CHEMBL4778990)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human AChE


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50562046
PNG
(CHEMBL4778990)
Show SMILES O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.45E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method


Citation and Details

Article DOI: 10.1039/d1md00105a
BindingDB Entry DOI: 10.7270/Q2125XB5
More data for this
Ligand-Target Pair