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3 similar compounds to monomer 96743

Compile data set for download or QSAR
Wt: 332.4
BDBM50038358
Wt: 348.4
BDBM50038366
Wt: 334.4
BDBM50038376

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50038358,50038366,50038376   
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


(Homo sapiens (Human))
BDBM50038376
PNG
(CHEMBL3360556)
Show SMILES CN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-23(16-18-8-3-2-4-9-18)13-7-14-24-15-12-22-20(17-24)19-10-5-6-11-21(19)25-22/h2-6,8-11H,7,12-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor in human Jurkat cell membranes incubated for 2 hrs by liquid scintillation counting


Eur J Med Chem 89: 198-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.053
BindingDB Entry DOI: 10.7270/Q2XW4MFR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50038366
PNG
(CHEMBL3360564)
Show SMILES CN(CCCN1CCc2oc3ccccc3c2C1)CCc1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-24(16-12-19-8-3-2-4-9-19)14-7-15-25-17-13-23-21(18-25)20-10-5-6-11-22(20)26-23/h2-6,8-11H,7,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor in human Jurkat cell membranes incubated for 2 hrs by liquid scintillation counting


Eur J Med Chem 89: 198-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.053
BindingDB Entry DOI: 10.7270/Q2XW4MFR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50038358
PNG
(CHEMBL3360572)
Show SMILES C(CN1Cc2ccccc2C1)CN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H24N2O/c1-2-7-18-15-24(14-17(18)6-1)12-5-11-23-13-10-22-20(16-23)19-8-3-4-9-21(19)25-22/h1-4,6-9H,5,10-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma 1 receptor in human Jurkat cell membranes incubated for 2 hrs by liquid scintillation counting


Eur J Med Chem 89: 198-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.053
BindingDB Entry DOI: 10.7270/Q2XW4MFR
More data for this
Ligand-Target Pair