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BDBM50277526 (R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethylamino)ethyl)-3-isobutylbiphenyl-4-carboxylic acid::CHEMBL473702

SMILES: CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1

InChI Key: InChIKey=LCAAUXMMXJQKOH-VWLOTQADSA-N

Data: 4 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 4 hits for monomerid = 50277526   
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))
BDBM50277526
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-21-14-20(7-8-22(21)26(31)32)19-5-3-18(4-6-19)9-11-29-16-25(30)23-15-28-12-10-24(23)27/h3-8,10,12,14-15,17,25,29-30H,9,11,13,16H2,1-2H3,(H2,27,28)(H,31,32)/t25-/m0/s1
PDB
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Article
PubMed
n/an/an/an/a 3.20E+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


(Canis familiaris)
BDBM50277526
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-21-14-20(7-8-22(21)26(31)32)19-5-3-18(4-6-19)9-11-29-16-25(30)23-15-28-12-10-24(23)27/h3-8,10,12,14-15,17,25,29-30H,9,11,13,16H2,1-2H3,(H2,27,28)(H,31,32)/t25-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog 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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50277526
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-21-14-20(7-8-22(21)26(31)32)19-5-3-18(4-6-19)9-11-29-16-25(30)23-15-28-12-10-24(23)27/h3-8,10,12,14-15,17,25,29-30H,9,11,13,16H2,1-2H3,(H2,27,28)(H,31,32)/t25-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 0.0660n/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))
BDBM50277526
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-21-14-20(7-8-22(21)26(31)32)19-5-3-18(4-6-19)9-11-29-16-25(30)23-15-28-12-10-24(23)27/h3-8,10,12,14-15,17,25,29-30H,9,11,13,16H2,1-2H3,(H2,27,28)(H,31,32)/t25-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 150n/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