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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50324842   
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))
BDBM50324842
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2,4,4-trimethylpenta...)
Show SMILES CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C17H26N2O3S/c1-16(2,3)9-17(4,5)18-8-12(21)10-6-7-11(20)13-14(10)23-15(22)19-13/h6-7,12,18,20-21H,8-9H2,1-5H3,(H,19,22)/t12-/m0/s1
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Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50324842
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2,4,4-trimethylpenta...)
Show SMILES CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C17H26N2O3S/c1-16(2,3)9-17(4,5)18-8-12(21)10-6-7-11(20)13-14(10)23-15(22)19-13/h6-7,12,18,20-21H,8-9H2,1-5H3,(H,19,22)/t12-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair