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BDBM50070134 4-{(R)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-methyl-propylamino]-propoxy}-phenol::CHEMBL12949

SMILES: COc1ccc(CC[C@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1

InChI Key: InChIKey=FVXAAPNMRWHMJD-MAUKXSAKSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50070134   
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))
BDBM50070134
PNG
(4-{(R)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a<0.100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070134
PNG
(4-{(R)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against cloned human beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair