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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50156254'   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156254
PNG
(2-[3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thiophene-2-sulfo...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C27H32N4O5S2/c1-18(13-20-15-29-27-22(20)9-5-10-24(27)36-17-25(33)31(2)3)28-16-23(32)19-7-4-8-21(14-19)30-38(34,35)26-11-6-12-37-26/h4-12,14-15,18,23,28-30,32H,13,16-17H2,1-3H3/t18-,23+/m1/s1
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Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair