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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 Monomerid = 50096766   
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))
BDBM50096766
PNG
((R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vin...)
Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1
Show InChI InChI=1S/C29H28N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31,35H,15,17,20H2,(H,32,33)/q-1/p+1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells


Bioorg Med Chem Lett 11: 379-82 (2001)


Article DOI: 10.1016/s0960-894x(00)00669-7
BindingDB Entry DOI: 10.7270/Q2CR5SNJ
More data for this
Ligand-Target Pair