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BDBM50017713 2-tert-Butylamino-1-(2,5-dimethoxy-phenyl)-propan-1-ol::2-tert-Butylamino-1-(2,5-dimethoxy-phenyl)-propan-1-ol(Butoxamine)::CHEMBL289093

SMILES: COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C

InChI Key: InChIKey=TWUSDDMONZULSC-UHFFFAOYSA-N

Data: 1 IC50  4 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50017713   
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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017713
PNG
(2-tert-Butylamino-1-(2,5-dimethoxy-phenyl)-propan-...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C
Show InChI InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
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n/an/an/a 4.47E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria


J Med Chem 30: 616-22 (1987)


Article DOI: 10.1021/jm00387a006
BindingDB Entry DOI: 10.7270/Q29P32VG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017713
PNG
(2-tert-Butylamino-1-(2,5-dimethoxy-phenyl)-propan-...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C
Show InChI InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
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n/an/an/a 4.47E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against beta-1 adrenergic receptor of isolated guinea pig atria


J Med Chem 28: 153-60 (1985)


Article DOI: 10.1021/jm00380a001
BindingDB Entry DOI: 10.7270/Q21C1Z2K
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017713
PNG
(2-tert-Butylamino-1-(2,5-dimethoxy-phenyl)-propan-...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C
Show InChI InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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n/an/an/a 129n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against beta-2 adrenergic receptor in isolated guinea pig trachea


J Med Chem 30: 616-22 (1987)


Article DOI: 10.1021/jm00387a006
BindingDB Entry DOI: 10.7270/Q29P32VG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017713
PNG
(2-tert-Butylamino-1-(2,5-dimethoxy-phenyl)-propan-...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C
Show InChI InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 129n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against beta-2 adrenergic receptor on isolated guinea pig tracheal strips


J Med Chem 28: 153-60 (1985)


Article DOI: 10.1021/jm00380a001
BindingDB Entry DOI: 10.7270/Q21C1Z2K
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017713
PNG
(2-tert-Butylamino-1-(2,5-dimethoxy-phenyl)-propan-...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C
Show InChI InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...


J Med Chem 28: 381-8 (1985)


Article DOI: 10.1021/jm00381a019
More data for this
Ligand-Target Pair