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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 286.3
BDBM483476

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM483476
PNG
(US10925840, Compound (S,S)-4)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.87E+7n/an/an/an/an/an/an/an/a



The USA, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)


BindingDB Entry DOI: 10.7270/Q2PK0K7V
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM483476
PNG
(US10925840, Compound (S,S)-4)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+8n/an/an/an/an/an/an/an/a



The USA, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)


BindingDB Entry DOI: 10.7270/Q2PK0K7V
More data for this
Ligand-Target Pair