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4 similar compounds to monomer 50004029

Compile data set for download or QSAR
Wt: 237.3
BDBM50109386
Purchase
Wt: 251.3
BDBM50109390
Wt: 432.6
BDBM50334470
Wt: 404.6
BDBM50334471

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50109386,50109390,50334470,50334471   
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


(RAT)
BDBM50109386
PNG
(2-Phenethyl-1,2,3,4-tetrahydro-isoquinoline | CHEM...)
Show SMILES C(Cc1ccccc1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H19N/c1-2-6-15(7-3-1)10-12-18-13-11-16-8-4-5-9-17(16)14-18/h1-9H,10-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound for sigma-1 receptor by displacing [3H]-(+) pentazocine


Bioorg Med Chem Lett 12: 497-500 (2002)


Article DOI: 10.1016/s0960-894x(01)00788-0
BindingDB Entry DOI: 10.7270/Q2CN7365
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50109390
PNG
(2-(3-Phenyl-propyl)-1,2,3,4-tetrahydro-isoquinolin...)
Show SMILES C(CN1CCc2ccccc2C1)Cc1ccccc1
Show InChI InChI=1S/C18H21N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11H,6,9,12-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound for sigma-1 receptor by displacing [3H]-(+) pentazocine


Bioorg Med Chem Lett 12: 497-500 (2002)


Article DOI: 10.1016/s0960-894x(01)00788-0
BindingDB Entry DOI: 10.7270/Q2CN7365
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-6 subunit


(Rattus norvegicus)
BDBM50334470
PNG
(1,12-bis(3,4-dihydroisoquinolin-2(1H)-yl)dodecane ...)
Show SMILES C(CCCCCCN1CCc2ccccc2C1)CCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C30H44N2/c1(3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31)2-4-6-8-14-22-32-24-20-28-16-10-12-18-30(28)26-32/h9-12,15-18H,1-8,13-14,19-26H2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.59n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release


Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-6 subunit


(Rattus norvegicus)
BDBM50334471
PNG
(1,10-bis(3,4-dihydroisoquinolin-2(1H)-yl)decane | ...)
Show SMILES C(CCCCCN1CCc2ccccc2C1)CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C28H40N2/c1(3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29)2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30/h7-10,13-16H,1-6,11-12,17-24H2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.91n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release


Bioorg Med Chem Lett 21: 88-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.070
BindingDB Entry DOI: 10.7270/Q2VT1SDX
More data for this
Ligand-Target Pair