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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 = 50091787   
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))
BDBM50091787
PNG
(CHEMBL60281 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H40N4O3S2/c1-2-3-4-5-6-7-10-29-24-40-32(35-29)26-13-17-30(18-14-26)41(38,39)36-28-15-11-25(12-16-28)19-21-34-23-31(37)27-9-8-20-33-22-27/h8-9,11-18,20,22,24,31,34,36-37H,2-7,10,19,21,23H2,1H3/t31-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.70E+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