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BDBM50277527 (R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethylamino)ethyl)-3-(cyclohexyloxy)biphenyl-4-carboxylic acid::CHEMBL470857

SMILES: Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1

InChI Key: InChIKey=BNYJUFJWBMUKOE-SANMLTNESA-N

Data: 3 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 3 hits for monomerid = 50277527   
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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50277527
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r|
Show InChI InChI=1S/C28H33N3O4/c29-25-13-15-30-17-24(25)26(32)18-31-14-12-19-6-8-20(9-7-19)21-10-11-23(28(33)34)27(16-21)35-22-4-2-1-3-5-22/h6-11,13,15-17,22,26,31-32H,1-5,12,14,18H2,(H2,29,30)(H,33,34)/t26-/m0/s1
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Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50277527
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r|
Show InChI InChI=1S/C28H33N3O4/c29-25-13-15-30-17-24(25)26(32)18-31-14-12-19-6-8-20(9-7-19)21-10-11-23(28(33)34)27(16-21)35-22-4-2-1-3-5-22/h6-11,13,15-17,22,26,31-32H,1-5,12,14,18H2,(H2,29,30)(H,33,34)/t26-/m0/s1
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Article
PubMed
n/an/an/an/a 0.0350n/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))
BDBM50277527
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r|
Show InChI InChI=1S/C28H33N3O4/c29-25-13-15-30-17-24(25)26(32)18-31-14-12-19-6-8-20(9-7-19)21-10-11-23(28(33)34)27(16-21)35-22-4-2-1-3-5-22/h6-11,13,15-17,22,26,31-32H,1-5,12,14,18H2,(H2,29,30)(H,33,34)/t26-/m0/s1
PDB

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PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 39n/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