BindingDB logo
myBDB logout

BDBM50321755 (R)-1-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran]-2'-yl)-N,N-dimethylmethanamine::CHEMBL1171905

SMILES: CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1

InChI Key: InChIKey=FKYCTFBWCJNXIZ-OAQYLSRUSA-N

Data: 3 KI

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 = 50321755   
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))
BDBM50321755
PNG
((R)-1-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[pipe...)
Show SMILES CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321755
PNG
((R)-1-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[pipe...)
Show SMILES CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321755
PNG
((R)-1-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[pipe...)
Show SMILES CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Eur J Med Chem 45: 3116-24 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.048
BindingDB Entry DOI: 10.7270/Q2XD11V4
More data for this
Ligand-Target Pair