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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50224021'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-3 adrenergic receptor


(Rattus norvegicus)
BDBM50224021
PNG
((S)-6-(4-(2-(3-(3,3-dimethyl-2-oxoindolin-4-yloxy)...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(C)(C)c12
Show InChI InChI=1S/C29H34N4O5/c1-28(2,14-18-8-11-21(12-9-18)38-24-13-10-19(15-31-24)26(30)35)32-16-20(34)17-37-23-7-5-6-22-25(23)29(3,4)27(36)33-22/h5-13,15,20,32,34H,14,16-17H2,1-4H3,(H2,30,35)(H,33,36)/t20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 6.5n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat beta-3 adrenergic receptor


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50224021
PNG
((S)-6-(4-(2-(3-(3,3-dimethyl-2-oxoindolin-4-yloxy)...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(C)(C)c12
Show InChI InChI=1S/C29H34N4O5/c1-28(2,14-18-8-11-21(12-9-18)38-24-13-10-19(15-31-24)26(30)35)32-16-20(34)17-37-23-7-5-6-22-25(23)29(3,4)27(36)33-22/h5-13,15,20,32,34H,14,16-17H2,1-4H3,(H2,30,35)(H,33,36)/t20-/m0/s1
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.20n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP level


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair