BindingDB logo
myBDB logout

null

SMILES: C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O

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 4 hits for monomerid = 50548583   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50548583
PNG
(CHEMBL4789005)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01127
BindingDB Entry DOI: 10.7270/Q2PC35ZC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50548583
PNG
(CHEMBL4789005)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of 3H](+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation count...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01127
BindingDB Entry DOI: 10.7270/Q2PC35ZC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50548583
PNG
(CHEMBL4789005)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7n/an/an/an/a


TBA

Assay Description
Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01127
BindingDB Entry DOI: 10.7270/Q2PC35ZC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50548583
PNG
(CHEMBL4789005)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01127
BindingDB Entry DOI: 10.7270/Q2PC35ZC
More data for this
Ligand-Target Pair