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BDBM50027167 CHEMBL183283

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

InChI Key: InChIKey=IXYADUVJCRLTHX-GOTSBHOMSA-N

Data: 2 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027167   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027167
PNG
(CHEMBL183283)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c30-16-22(27-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-20(12-10-18)28-26(34)29-21-6-4-5-19(14-21)25(32)33/h1-12,14,22-23,27,30-31H,13,15-17H2,(H,32,33)(H2,28,29,34)/t22-,23-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 1.5n/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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50027167
PNG
(CHEMBL183283)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c30-16-22(27-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-20(12-10-18)28-26(34)29-21-6-4-5-19(14-21)25(32)33/h1-12,14,22-23,27,30-31H,13,15-17H2,(H,32,33)(H2,28,29,34)/t22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30n/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