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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 = 50091771   
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))
BDBM50091771
PNG
(CHEMBL291516 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2c[nH]c3ccccc23)cc1)c1cccnc1
Show InChI InChI=1S/C32H29N5O3S2/c38-31(24-4-3-16-33-18-24)20-34-17-15-22-7-11-25(12-8-22)37-42(39,40)26-13-9-23(10-14-26)32-36-30(21-41-32)28-19-35-29-6-2-1-5-27(28)29/h1-14,16,18-19,21,31,34-35,37-38H,15,17,20H2/t31-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Beta-2 adrenergic receptor expressed in CHO cells using [125I]-iodocyanopindolol


Bioorg Med Chem Lett 10: 1971-3 (2001)


Article DOI: 10.1016/s0960-894x(00)00390-5
BindingDB Entry DOI: 10.7270/Q26T0KV0
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50091771
PNG
(CHEMBL291516 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2c[nH]c3ccccc23)cc1)c1cccnc1
Show InChI InChI=1S/C32H29N5O3S2/c38-31(24-4-3-16-33-18-24)20-34-17-15-22-7-11-25(12-8-22)37-42(39,40)26-13-9-23(10-14-26)32-36-30(21-41-32)28-19-35-29-6-2-1-5-27(28)29/h1-14,16,18-19,21,31,34-35,37-38H,15,17,20H2/t31-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulated increase in cAMP in CHO cells expressing human beta-3 receptor


Bioorg Med Chem Lett 10: 1971-3 (2001)


Article DOI: 10.1016/s0960-894x(00)00390-5
BindingDB Entry DOI: 10.7270/Q26T0KV0
More data for this
Ligand-Target Pair