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SMILES: CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1

InChI Key: InChIKey=DFGXCGQPCWUBML-ABAIWWIYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 206775   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM206775
PNG
((R,R)- 6 | US9492405, (R,R)-6)
Show SMILES CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C15H25NO3/c1-3-4-5-6-11(2)16-10-15(19)12-7-13(17)9-14(18)8-12/h7-9,11,15-19H,3-6,10H2,1-2H3/t11-,15+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
9.28E+3 -6.38n/an/an/an/an/a7.84



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

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM206775
PNG
((R,R)- 6 | US9492405, (R,R)-6)
Show SMILES CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C15H25NO3/c1-3-4-5-6-11(2)16-10-15(19)12-7-13(17)9-14(18)8-12/h7-9,11,15-19H,3-6,10H2,1-2H3/t11-,15+/m1/s1
PDB

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UniChem
US Patent
1.02E+4 -6.33n/an/an/an/an/a7.84



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

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM206775
PNG
((R,R)- 6 | US9492405, (R,R)-6)
Show SMILES CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C15H25NO3/c1-3-4-5-6-11(2)16-10-15(19)12-7-13(17)9-14(18)8-12/h7-9,11,15-19H,3-6,10H2,1-2H3/t11-,15+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/a 9.33E+3n/an/an/a7.7n/a



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

US Patent


Assay Description
HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair