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BDBM50243482 4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-3-isopropoxy-4-biphenylcarboxylic acid::CHEMBL516785

SMILES: CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1

InChI Key: InChIKey=HNRGQQGBWULWOO-DEOSSOPVSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50243482   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243482
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO5/c1-18(2)32-25-16-21(10-13-23(25)26(29)30)19-8-11-22(12-9-19)31-15-14-27-17-24(28)20-6-4-3-5-7-20/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50243482
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO5/c1-18(2)32-25-16-21(10-13-23(25)26(29)30)19-8-11-22(12-9-19)31-15-14-27-17-24(28)20-6-4-3-5-7-20/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 510n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair