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BDBM50205510 (S,R)-(-)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2-hydroxyethyl]amino}propyl]phenoxy} acetate::CHEMBL387852

SMILES: CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1

InChI Key: InChIKey=VRTDHXVWDVZYMD-DOMZBBRYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50205510   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50205510
PNG
((S,R)-(-)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...)
Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human adrenergic beta 2 receptor transfected in CHO cells in presence of 100 uM GTP


Bioorg Med Chem 15: 2533-43 (2007)


Article DOI: 10.1016/j.bmc.2007.01.056
BindingDB Entry DOI: 10.7270/Q2765F04
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50205510
PNG
((S,R)-(-)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...)
Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15+/m1/s1
PDB

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antibodypedia
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PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human adrenergic beta 1 receptor transfected in CHO cells in presence of 100 uM GTP


Bioorg Med Chem 15: 2533-43 (2007)


Article DOI: 10.1016/j.bmc.2007.01.056
BindingDB Entry DOI: 10.7270/Q2765F04
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50205510
PNG
((S,R)-(-)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...)
Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.01E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human adrenergic beta 3 receptor transfected in CHO cells in presence of 100 uM GTP


Bioorg Med Chem 15: 2533-43 (2007)


Article DOI: 10.1016/j.bmc.2007.01.056
BindingDB Entry DOI: 10.7270/Q2765F04
More data for this
Ligand-Target Pair