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BDBM50401370 CHEMBL2205821

SMILES: OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1

InChI Key: InChIKey=DHQYUPWRESNGBC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50401370   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50401370
PNG
(CHEMBL2205821)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1
Show InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor


Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50401370
PNG
(CHEMBL2205821)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1
Show InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain


Bioorg Med Chem Lett 23: 1707-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.069
BindingDB Entry DOI: 10.7270/Q2G73G3N
More data for this
Ligand-Target Pair