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BDBM50344431 CHEMBL1779995::trans-N-(p-Methoxybenzyl)-3-methoxy-3,4-dihydrospiro-[[2]benzopyran-1,1'-cyclohexan]-4'-amine

SMILES: COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccc(OC)cc2)O1

InChI Key: InChIKey=DNIJYSZGAWKCFH-HUJQNASWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344431   
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))
BDBM50344431
PNG
(CHEMBL1779995 | trans-N-(p-Methoxybenzyl)-3-methox...)
Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccc(OC)cc2)O1 |r,wU:10.28,wD:13.17,(-.86,-4.83,;-2.2,-5.6,;-2.21,-7.15,;-.87,-7.92,;-.88,-9.47,;.44,-10.23,;.44,-11.75,;-.89,-12.52,;-2.21,-11.75,;-2.21,-10.22,;-3.54,-9.46,;-4.31,-10.8,;-6.04,-10.18,;-7.22,-10.61,;-6.46,-9.25,;-4.82,-9.87,;-7.23,-12.15,;-8.57,-12.92,;-8.57,-14.46,;-9.91,-15.22,;-9.91,-16.76,;-8.59,-17.54,;-8.59,-19.08,;-9.92,-19.85,;-7.24,-16.77,;-7.24,-15.23,;-3.55,-7.92,)|
Show InChI InChI=1S/C23H29NO3/c1-25-20-9-7-17(8-10-20)16-24-19-11-13-23(14-12-19)21-6-4-3-5-18(21)15-22(26-2)27-23/h3-10,19,22,24H,11-16H2,1-2H3/t19-,22?,23-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
169n/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 by scintillation analyzer


Bioorg Med Chem 19: 3141-51 (2011)


Article DOI: 10.1016/j.bmc.2011.04.002
BindingDB Entry DOI: 10.7270/Q2D21XXP
More data for this
Ligand-Target Pair