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BDBM50416066 CHEMBL1086536

SMILES: OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1cccc(O)c1

InChI Key: InChIKey=ZXQRIBVIRUROHJ-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 = 50416066   
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))
BDBM50416066
PNG
(CHEMBL1086536)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1cccc(O)c1 |r|
Show InChI InChI=1S/C24H35NO6/c26-17-21-15-20(8-9-23(21)28)24(29)16-25-10-3-1-2-4-11-30-12-13-31-18-19-6-5-7-22(27)14-19/h5-9,14-15,24-29H,1-4,10-13,16-18H2/t24-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/an/an/a 0.794n/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))
BDBM50416066
PNG
(CHEMBL1086536)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1cccc(O)c1 |r|
Show InChI InChI=1S/C24H35NO6/c26-17-21-15-20(8-9-23(21)28)24(29)16-25-10-3-1-2-4-11-30-12-13-31-18-19-6-5-7-22(27)14-19/h5-9,14-15,24-29H,1-4,10-13,16-18H2/t24-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/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))
BDBM50416066
PNG
(CHEMBL1086536)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1cccc(O)c1 |r|
Show InChI InChI=1S/C24H35NO6/c26-17-21-15-20(8-9-23(21)28)24(29)16-25-10-3-1-2-4-11-30-12-13-31-18-19-6-5-7-22(27)14-19/h5-9,14-15,24-29H,1-4,10-13,16-18H2/t24-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

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 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