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BDBM50326547 CHEMBL230490::N-(3,4-dichlorobenzyl)-2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)phenyl)acetamide

SMILES: C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1

InChI Key: InChIKey=AOJZKEWJJYTGIX-QUGAMOGWSA-N

Data: 2 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 2 hits for monomerid = 50326547   
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))
BDBM50326547
PNG
(CHEMBL230490 | N-(3,4-dichlorobenzyl)-2-(3-((R)-2-...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-6-8-25(33)22(13-21)16-32)9-18-3-2-4-19(10-18)12-27(35)31-14-20-5-7-23(28)24(29)11-20/h2-8,10-11,13,17,26,30,32-34H,9,12,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1
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Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as stimulation of intracellular cAMP production after 30 mins of ...


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326547
PNG
(CHEMBL230490 | N-(3,4-dichlorobenzyl)-2-(3-((R)-2-...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-6-8-25(33)22(13-21)16-32)9-18-3-2-4-19(10-18)12-27(35)31-14-20-5-7-23(28)24(29)11-20/h2-8,10-11,13,17,26,30,32-34H,9,12,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair