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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM93157'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM93157
PNG
(3-{2-[(3aR,6aS)-3a,6a-dimethyl-octahydrocyclopenta...)
Show SMILES CCCc1ccc2n(CCN3C[C@@]4(C)CCC[C@@]4(C)C3)c(=O)sc2c1 |r|
Show InChI InChI=1S/C21H30N2OS/c1-4-6-16-7-8-17-18(13-16)25-19(24)23(17)12-11-22-14-20(2)9-5-10-21(20,3)15-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3/t20-,21+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.40n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93157
PNG
(3-{2-[(3aR,6aS)-3a,6a-dimethyl-octahydrocyclopenta...)
Show SMILES CCCc1ccc2n(CCN3C[C@@]4(C)CCC[C@@]4(C)C3)c(=O)sc2c1 |r|
Show InChI InChI=1S/C21H30N2OS/c1-4-6-16-7-8-17-18(13-16)25-19(24)23(17)12-11-22-14-20(2)9-5-10-21(20,3)15-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3/t20-,21+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

>1.00E+3n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair