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BDBM50013966 (2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-(2-pyrrolidin-1-yl-cyclohexyl)-amine::(2R)-N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-N-methyl-2-(pyrrolidin-1-yl)cyclohexan-1-amine

SMILES: CN(CCc1ccc2OCOc2c1)C1CCCC[C@H]1N1CCCC1

InChI Key: InChIKey=IEXALIKWYRGVDA-QRWMCTBCSA-N

Data: 2 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013966   
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


(Homo sapiens (Human))
BDBM50013966
PNG
((2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-(2-pyrrolid...)
Show SMILES CN(CCc1ccc2OCOc2c1)C1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H30N2O2/c1-21(13-10-16-8-9-19-20(14-16)24-15-23-19)17-6-2-3-7-18(17)22-11-4-5-12-22/h8-9,14,17-18H,2-7,10-13,15H2,1H3/t17?,18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
31n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013966
PNG
((2-Benzo[1,3]dioxol-5-yl-ethyl)-methyl-(2-pyrrolid...)
Show SMILES CN(CCc1ccc2OCOc2c1)C1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H30N2O2/c1-21(13-10-16-8-9-19-20(14-16)24-15-23-19)17-6-2-3-7-18(17)22-11-4-5-12-22/h8-9,14,17-18H,2-7,10-13,15H2,1H3/t17?,18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair