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BDBM50313967 (R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-phenethylbenzamide::CHEMBL1078465

SMILES: O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1

InChI Key: InChIKey=XKDPEQFQSLZVJW-LJAQVGFWSA-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 = 50313967   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313967
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H31N3O2/c34-29(26-10-6-19-31-21-26)22-32-20-18-24-13-16-27(17-14-24)33-30(35)28-11-5-4-9-25(28)15-12-23-7-2-1-3-8-23/h1-11,13-14,16-17,19,21,29,32,34H,12,15,18,20,22H2,(H,33,35)/t29-/m0/s1
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PC sid
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Article
PubMed
n/an/a 1.70E+3n/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))
BDBM50313967
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H31N3O2/c34-29(26-10-6-19-31-21-26)22-32-20-18-24-13-16-27(17-14-24)33-30(35)28-11-5-4-9-25(28)15-12-23-7-2-1-3-8-23/h1-11,13-14,16-17,19,21,29,32,34H,12,15,18,20,22H2,(H,33,35)/t29-/m0/s1
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Article
PubMed
n/an/a 2.40E+3n/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))
BDBM50313967
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H31N3O2/c34-29(26-10-6-19-31-21-26)22-32-20-18-24-13-16-27(17-14-24)33-30(35)28-11-5-4-9-25(28)15-12-23-7-2-1-3-8-23/h1-11,13-14,16-17,19,21,29,32,34H,12,15,18,20,22H2,(H,33,35)/t29-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 32n/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