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BDBM50236165 (R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)biphenyl-4-carboxylic acid::3-(cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylethyl]-amino}ethyl)-4-biphenylcarboxylic acid::3-Cyclohexyloxy-4'-[2-((R)-2-hydroxy-2-phenyl-ethylamino)-ethyl]-biphenyl-4-carboxylic acid::CHEMBL409718

SMILES: O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1

InChI Key: InChIKey=VVJWECBYOVJRAZ-MHZLTWQESA-N

Data: 6 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 6 hits for monomerid = 50236165   
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))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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
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n/an/an/an/a 0.300n/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))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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
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n/an/an/an/a 260n/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
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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
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n/an/an/an/a 0.300n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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
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n/an/an/an/a 0.300n/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 immunoassay


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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
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n/an/an/an/a 260n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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
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PubMed
n/an/an/an/a 260n/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 immunoassay


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
More data for this
Ligand-Target Pair