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SMILES: CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1

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 = 50550237   
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


(Cavia porcellus (Guinea pig))
BDBM50550237
PNG
(CHEMBL4747257)
Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR22W8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50550237
PNG
(CHEMBL4747257)
Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50550237
PNG
(CHEMBL4747257)
Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-7-OH-DPAT from DRD3 in rat olfactory tubercle by scintillation counting


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR22W8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50550237
PNG
(CHEMBL4747257)
Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-spiperone from DRD2 in rat striatum by scintillation counting


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR22W8
More data for this
Ligand-Target Pair