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BDBM50264628 (R)-3-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)benzoic acid::CHEMBL523817

SMILES: O[C@@H](CNCCc1cccc(Oc2cccc(c2)C(O)=O)c1)c1cccc(Cl)c1

InChI Key: InChIKey=KIIFBGJNZWAPBC-QFIPXVFZSA-N

Data: 2 EC50

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 2 hits for monomerid = 50264628   
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


(Homo sapiens (Human))
BDBM50264628
PNG
((R)-3-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2cccc(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-7-2-5-17(13-19)22(26)15-25-11-10-16-4-1-8-20(12-16)29-21-9-3-6-18(14-21)23(27)28/h1-9,12-14,22,25-26H,10-11,15H2,(H,27,28)/t22-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50264628
PNG
((R)-3-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2cccc(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-7-2-5-17(13-19)22(26)15-25-11-10-16-4-1-8-20(12-16)29-21-9-3-6-18(14-21)23(27)28/h1-9,12-14,22,25-26H,10-11,15H2,(H,27,28)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair