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BDBM50296961 (R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)ethyl)-3-isopropoxy-N-(methylsulfonyl)biphenyl-4-carboxamide::CHEMBL562395

SMILES: CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1

InChI Key: InChIKey=GKJRPWPPZIETKU-VWLOTQADSA-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 = 50296961   
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))
BDBM50296961
PNG
((R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)e...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1 |r|
Show InChI InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-21(11-12-24(26)27(32)30-36(3,33)34)20-9-7-19(8-10-20)13-14-29-17-25(31)22-5-4-6-23(28)15-22/h4-12,15-16,18,25,29,31H,13-14,17,28H2,1-3H3,(H,30,32)/t25-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...


Bioorg Med Chem Lett 19: 4679-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.083
BindingDB Entry DOI: 10.7270/Q2S183DR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50296961
PNG
((R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)e...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1 |r|
Show InChI InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-21(11-12-24(26)27(32)30-36(3,33)34)20-9-7-19(8-10-20)13-14-29-17-25(31)22-5-4-6-23(28)15-22/h4-12,15-16,18,25,29,31H,13-14,17,28H2,1-3H3,(H,30,32)/t25-/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 6n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...


Bioorg Med Chem Lett 19: 4679-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.083
BindingDB Entry DOI: 10.7270/Q2S183DR
More data for this
Ligand-Target Pair