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BDBM50321780 (R)-6'-methoxy-1'-phenyl-1-propyl-6',7'-dihydro-1'H-spiro[piperidine-4,4'-pyrano[4,3-c]pyrazole]::CHEMBL1172059

SMILES: CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1-c1ccccc1)OC

InChI Key: InChIKey=CQOWRZAMLIMIMA-LJQANCHMSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50321780   
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))
BDBM50321780
PNG
((R)-6'-methoxy-1'-phenyl-1-propyl-6',7'-dihydro-1'...)
Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1-c1ccccc1)OC |r|
Show InChI InChI=1S/C20H27N3O2/c1-3-11-22-12-9-20(10-13-22)17-15-21-23(16-7-5-4-6-8-16)18(17)14-19(24-2)25-20/h4-8,15,19H,3,9-14H2,1-2H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/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))
BDBM50321780
PNG
((R)-6'-methoxy-1'-phenyl-1-propyl-6',7'-dihydro-1'...)
Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1-c1ccccc1)OC |r|
Show InChI InChI=1S/C20H27N3O2/c1-3-11-22-12-9-20(10-13-22)17-15-21-23(16-7-5-4-6-8-16)18(17)14-19(24-2)25-20/h4-8,15,19H,3,9-14H2,1-2H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/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 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321780
PNG
((R)-6'-methoxy-1'-phenyl-1-propyl-6',7'-dihydro-1'...)
Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1-c1ccccc1)OC |r|
Show InChI InChI=1S/C20H27N3O2/c1-3-11-22-12-9-20(10-13-22)17-15-21-23(16-7-5-4-6-8-16)18(17)14-19(24-2)25-20/h4-8,15,19H,3,9-14H2,1-2H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/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