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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 Monomerid = 50089476   
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50089476
PNG
(CHEMBL289250 | N-{4-[3-(4-{4-[2-((R)-2-Hydroxy-2-p...)
Show SMILES CC(=O)Nc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C32H32N6O5S/c1-22(39)35-27-10-6-24(7-11-27)19-31-36-32(37-43-31)25-8-14-29(15-9-25)44(41,42)38-28-12-4-23(5-13-28)16-18-34-21-30(40)26-3-2-17-33-20-26/h2-15,17,20,30,34,38,40H,16,18-19,21H2,1H3,(H,35,39)/t30-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 10: 1431-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00268-7
BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50089476
PNG
(CHEMBL289250 | N-{4-[3-(4-{4-[2-((R)-2-Hydroxy-2-p...)
Show SMILES CC(=O)Nc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C32H32N6O5S/c1-22(39)35-27-10-6-24(7-11-27)19-31-36-32(37-43-31)25-8-14-29(15-9-25)44(41,42)38-28-12-4-23(5-13-28)16-18-34-21-30(40)26-3-2-17-33-20-26/h2-15,17,20,30,34,38,40H,16,18-19,21H2,1H3,(H,35,39)/t30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cAMP levels in CHO cells expressing the recombinant human beta-3 adrenergic receptor


Bioorg Med Chem Lett 10: 1431-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00268-7
BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair