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BDBM50416057 CHEMBL1085395

SMILES: OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccccc1

InChI Key: InChIKey=QWSABLOHCHLOSC-DEOSSOPVSA-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 = 50416057   
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))
BDBM50416057
PNG
(CHEMBL1085395)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccccc1 |r|
Show InChI InChI=1S/C24H35NO5/c26-18-22-16-21(10-11-23(22)27)24(28)17-25-12-6-1-2-7-13-29-14-15-30-19-20-8-4-3-5-9-20/h3-5,8-11,16,24-28H,1-2,6-7,12-15,17-19H2/t24-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation after...


J Med Chem 53: 4522-30 (2010)


Article DOI: 10.1021/jm100326d
BindingDB Entry DOI: 10.7270/Q23N24N1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50416057
PNG
(CHEMBL1085395)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccccc1 |r|
Show InChI InChI=1S/C24H35NO5/c26-18-22-16-21(10-11-23(22)27)24(28)17-25-12-6-1-2-7-13-29-14-15-30-19-20-8-4-3-5-9-20/h3-5,8-11,16,24-28H,1-2,6-7,12-15,17-19H2/t24-/m0/s1
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PC sid
UniChem

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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation afte...


J Med Chem 53: 4522-30 (2010)


Article DOI: 10.1021/jm100326d
BindingDB Entry DOI: 10.7270/Q23N24N1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50416057
PNG
(CHEMBL1085395)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccccc1 |r|
Show InChI InChI=1S/C24H35NO5/c26-18-22-16-21(10-11-23(22)27)24(28)17-25-12-6-1-2-7-13-29-14-15-30-19-20-8-4-3-5-9-20/h3-5,8-11,16,24-28H,1-2,6-7,12-15,17-19H2/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation after...


J Med Chem 53: 4522-30 (2010)


Article DOI: 10.1021/jm100326d
BindingDB Entry DOI: 10.7270/Q23N24N1
More data for this
Ligand-Target Pair