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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50098656'   
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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50098656
PNG
(CHEMBL35500 | [Butyl-(4-{4-[2-hydroxy-2-(4-hydroxy...)
Show SMILES CCCCN(c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)S(=O)(=O)CC(O)=O
Show InChI InChI=1S/C26H38N4O8S2/c1-3-4-13-30(40(37,38)18-26(33)34)22-8-6-21(7-9-22)29-14-11-20(12-15-29)27-17-25(32)19-5-10-24(31)23(16-19)28-39(2,35)36/h5-10,16,20,25,27-28,31-32H,3-4,11-15,17-18H2,1-2H3,(H,33,34)/t25-/m0/s1
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PC cid
PC sid
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PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 2 adrenergic receptors


J Med Chem 44: 1456-66 (2001)


BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair