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BDBM27960 (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol::CHEMBL198059::ICI118551

SMILES: CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12

InChI Key: InChIKey=VFIDUCMKNJIJTO-BBRMVZONSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27960   
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
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM27960
PNG
((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...)
Show SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1
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Article
PubMed
1 -12.1 3n/an/an/an/a7.422



Intervet Innovation GmbH



Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...


J Med Chem 52: 1773-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM27960
PNG
((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...)
Show SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1
PDB
MMDB

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PC sid
UniChem

Patents


Similars

n/an/a 7.40n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP 12177 from human recombinant beta2 adrenergic receptor expressed in CHO cells measured after 120 mins by scintillation counti...


Citation and Details
More data for this
Ligand-Target Pair