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BDBM312185 US9604926, Compound CM-308::US9724435, Compound CM-308

SMILES: COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC

InChI Key: InChIKey=XGOHTBBPROHTRG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 312185   
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-2 receptor


(Rattus norvegicus (Rat))
BDBM312185
PNG
(US9604926, Compound CM-308 | US9724435, Compound C...)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC
Show InChI InChI=1S/C22H26N2O2S2/c1-25-19-13-16-9-12-23(15-17(16)14-20(19)26-2)10-5-6-11-24-18-7-3-4-8-21(18)28-22(24)27/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.560n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9724435 (2017)


BindingDB Entry DOI: 10.7270/Q2BZ6856
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Mus musculus (Mouse))
BDBM312185
PNG
(US9604926, Compound CM-308 | US9724435, Compound C...)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC
Show InChI InChI=1S/C22H26N2O2S2/c1-25-19-13-16-9-12-23(15-17(16)14-20(19)26-2)10-5-6-11-24-18-7-3-4-8-21(18)28-22(24)27/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.560n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X6J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM312185
PNG
(US9604926, Compound CM-308 | US9724435, Compound C...)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC
Show InChI InChI=1S/C22H26N2O2S2/c1-25-19-13-16-9-12-23(15-17(16)14-20(19)26-2)10-5-6-11-24-18-7-3-4-8-21(18)28-22(24)27/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
9.11n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X6J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM312185
PNG
(US9604926, Compound CM-308 | US9724435, Compound C...)
Show SMILES COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC
Show InChI InChI=1S/C22H26N2O2S2/c1-25-19-13-16-9-12-23(15-17(16)14-20(19)26-2)10-5-6-11-24-18-7-3-4-8-21(18)28-22(24)27/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
9.11n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9724435 (2017)


BindingDB Entry DOI: 10.7270/Q2BZ6856
More data for this
Ligand-Target Pair