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SMILES: CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50580833   
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))
BDBM50580833
PNG
(CHEMBL5090595)
Show SMILES CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50580833
PNG
(CHEMBL5090595)
Show SMILES CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50580833
PNG
(CHEMBL5090595)
Show SMILES CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hERG expressed in CHO cells by whole cell patch clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50580833
PNG
(CHEMBL5090595)
Show SMILES CCC(=O)N(CC1(CCOC(C)(C)C1)N1CCN(Cc2ccccc2)CC1)c1cccc(n1)C(F)(F)F
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 6n/an/an/an/a


TBA

Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells assessed as reduction in forskolin-induced cAMP production incubated for 45 mins by by HTRF a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00417
BindingDB Entry DOI: 10.7270/Q2HH6PX3
More data for this
Ligand-Target Pair