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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 = 'BDBM50159021'   
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


(Homo sapiens (Human))
BDBM50159021
PNG
(1-Benzyl-4-chroman-3-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)15-22-10-12-23(13-11-22)16-19-14-20-8-4-5-9-21(20)24-17-19/h1-9,19H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159021
PNG
(1-Benzyl-4-chroman-3-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)15-22-10-12-23(13-11-22)16-19-14-20-8-4-5-9-21(20)24-17-19/h1-9,19H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.48n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair