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2 similar compounds to monomer 50415161

Compile data set for download or QSAR
Wt: 371.4
BDBM50074014
Wt: 321.4
BDBM50415164

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50074014,50415164   
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))
BDBM50415164
PNG
(CHEMBL570529)
Show SMILES O=C1CC(Oc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0661n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50074014
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-23-18-25(28-24-11-4-3-10-22(23)24)13-16-26(17-14-25)15-12-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00732-x
BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074014
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-23-18-25(28-24-11-4-3-10-22(23)24)13-16-26(17-14-25)15-12-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00732-x
BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074014
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-23-18-25(28-24-11-4-3-10-22(23)24)13-16-26(17-14-25)15-12-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
67n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00732-x
BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair