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2 similar compounds to monomer 25767

Compile data set for download or QSAR
Wt: 316.4
BDBM50292219
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50292219   
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)
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
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KEGG
MMDB
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PC sid
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Article
PubMed
n/an/an/a 0.363n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 0.363n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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KEGG
MMDB
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PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 0.166n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-2 adrenoceptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha contracted ...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a 0.240n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.10E+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