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BDBM50313945 (R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)pyrazolo[1,5-a]pyridine-7-carboxamide::CHEMBL1077273

SMILES: O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1

InChI Key: InChIKey=XHNDFNBWFFSSFS-QFIPXVFZSA-N

Data: 2 IC50  1 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 = 50313945   
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))
BDBM50313945
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313945
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313945
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 261n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair