BindingDB logo
myBDB logout

2 similar compounds to monomer 50240370

Compile data set for download or QSAR
Wt: 265.3
BDBM50169814
Wt: 263.3
BDBM50421722
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50169814,50421722   
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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50169814
PNG
(1-(4-Allyloxy-phenoxy)-3-isopropylamino-propan-2-o...)
Show SMILES CC(C)NCC(O)COc1ccc(OCC=C)cc1
Show InChI InChI=1S/C15H23NO3/c1-4-9-18-14-5-7-15(8-6-14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes


Bioorg Med Chem Lett 15: 3816-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.007
BindingDB Entry DOI: 10.7270/Q2WS8SSG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50421722
PNG
(CHEMBL1159890)
Show SMILES CC(C)NCC(O)COc1ccccc1OCC#C
Show InChI InChI=1S/C15H21NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h1,5-8,12-13,16-17H,9-11H2,2-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50421722
PNG
(CHEMBL1159890)
Show SMILES CC(C)NCC(O)COc1ccccc1OCC#C
Show InChI InChI=1S/C15H21NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h1,5-8,12-13,16-17H,9-11H2,2-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.14E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair