BDBM25768 1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol::ICI 118,551::ICI 118551

SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12

InChI Key InChIKey=VFIDUCMKNJIJTO-UHFFFAOYSA-N

Data  9 KI  4 IC50  6 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 25768   

TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKd:  0.550nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Rat)
University of Urbino

Curated by ChEMBL
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataIC50: 2.30nMAssay Description:Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataIC50: 0.740nMAssay Description:Displacement of [3H](-)CGP12177 from human recombinant Beta-2 adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKd:  240nMAssay Description:Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKd:  0.676nMAssay Description:Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKd:  6.30nMAssay Description:Binding affinity to human adrenergic beta2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human alpha2 adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKd:  363nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKd:  302nMpH: 7.4 T: 2°CAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  0.570nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  0.630nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetBeta-2 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Rat)
University of Urbino

Curated by ChEMBL
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  1.78nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-1 adrenergic receptor(Human)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  49.5nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  135nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetBeta-1 adrenergic receptor(Rat)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  195nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
University of Nottingham

LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  611nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1B(Rat)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25768(ICI 118,551 | 1-[(7-methyl-2,3-dihydro-1H-inden-4-...)
Affinity DataKi:  3.89E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed