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BDBM50243541 3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}-ethoxy)-4-biphenylcarboxylic acid::CHEMBL459862

SMILES: O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1

InChI Key: InChIKey=ICJSATZSWYWXBB-MHZLTWQESA-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 = 50243541   
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))
BDBM50243541
PNG
(3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylet...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO5/c31-27(22-7-3-1-4-8-22)20-30-17-18-34-24-14-11-21(12-15-24)23-13-16-26(29(32)33)28(19-23)35-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.160n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243541
PNG
(3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylet...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO5/c31-27(22-7-3-1-4-8-22)20-30-17-18-34-24-14-11-21(12-15-24)23-13-16-26(29(32)33)28(19-23)35-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 91n/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)

More data for this
Ligand-Target Pair