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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 = 'BDBM50328301'   
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


(Homo sapiens (human))
BDBM50328301
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2
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Article
PubMed
7.30n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50328301
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0200n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)

More data for this
Ligand-Target Pair