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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'wessler' and Initial = 'i'   
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


(GUINEA PIG)
BDBM50131281
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound Beta-2 adrenergic receptor in Guinea pig trachea


Bioorg Med Chem Lett 13: 2687-92 (2003)


BindingDB Entry DOI: 10.7270/Q22N51P2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50131280
PNG
(5-(2-{2-[4-(2-Fluoro-ethoxy)-phenyl]-1-methyl-ethy...)
Show SMILES CC(Cc1ccc(OCCF)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H24FNO4/c1-13(8-14-2-4-18(5-3-14)25-7-6-20)21-12-19(24)15-9-16(22)11-17(23)10-15/h2-5,9-11,13,19,21-24H,6-8,12H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound Beta-2 adrenergic receptor in Guinea pig trachea


Bioorg Med Chem Lett 13: 2687-92 (2003)


BindingDB Entry DOI: 10.7270/Q22N51P2
More data for this
Ligand-Target Pair