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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 = 50091781   
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))
BDBM50091781
PNG
(4-[4-(3-Cyclopentyl-propyl)-thiazol-2-yl]-N-{4-[2-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(CCCC3CCCC3)cs2)cc1)c1cccnc1
Show InChI InChI=1S/C32H38N4O3S2/c37-31(27-8-4-19-33-21-27)22-34-20-18-25-10-14-28(15-11-25)36-41(38,39)30-16-12-26(13-17-30)32-35-29(23-40-32)9-3-7-24-5-1-2-6-24/h4,8,10-17,19,21,23-24,31,34,36-37H,1-3,5-7,9,18,20,22H2/t31-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity (measured using [125I]-iodocyanopindolol) against human Beta-1 adrenergic receptor expressed in CHO cells


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