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BDBM50027164 CHEMBL369346

SMILES: OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1)NC[C@H](O)COc1ccccc1

InChI Key: InChIKey=DRPLNMFPBUMNGK-GMAHTHKFSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027164   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50027164
PNG
(CHEMBL369346)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C25H28N4O6/c30-16-21(26-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-19(12-10-18)27-25(32)28-20-5-4-6-22(14-20)29(33)34/h1-12,14,21,23,26,30-31H,13,15-17H2,(H2,27,28,32)/t21-,23-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027164
PNG
(CHEMBL369346)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C25H28N4O6/c30-16-21(26-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-19(12-10-18)27-25(32)28-20-5-4-6-22(14-20)29(33)34/h1-12,14,21,23,26,30-31H,13,15-17H2,(H2,27,28,32)/t21-,23-/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 1n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair