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PubMed code 12951084

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50132483
PNG
(CHEMBL108043 | Pentyl-(1-phenethyloxy-4,5-dihydro-...)
Show SMILES CCCCCNC1=NCCN1OCCc1ccccc1
Show InChI InChI=1S/C16H25N3O/c1-2-3-7-11-17-16-18-12-13-19(16)20-14-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3,(H,17,18)
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Article
PubMed
4.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor was measured through displacement of [3H]prazosin


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50132481
PNG
((1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-pentyl-...)
Show SMILES CCCCCNC1=NCCN1OCc1ccccc1
Show InChI InChI=1S/C15H23N3O/c1-2-3-7-10-16-15-17-11-12-18(15)19-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17)
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Article
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor was measured through displacement of [3H]prazosin


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50132483
PNG
(CHEMBL108043 | Pentyl-(1-phenethyloxy-4,5-dihydro-...)
Show SMILES CCCCCNC1=NCCN1OCCc1ccccc1
Show InChI InChI=1S/C16H25N3O/c1-2-3-7-11-17-16-18-12-13-19(16)20-14-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3,(H,17,18)
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor was measured through displacement of [3H]-RX-821002


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50132481
PNG
((1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-pentyl-...)
Show SMILES CCCCCNC1=NCCN1OCc1ccccc1
Show InChI InChI=1S/C15H23N3O/c1-2-3-7-10-16-15-17-11-12-18(15)19-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17)
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PubMed
3.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor was measured through displacement of [3H]-RX-821002


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
Glutamate NMDA receptor; Grin1/Grin2a


(Rattus norvegicus (Rat))
BDBM50132483
PNG
(CHEMBL108043 | Pentyl-(1-phenethyloxy-4,5-dihydro-...)
Show SMILES CCCCCNC1=NCCN1OCCc1ccccc1
Show InChI InChI=1S/C16H25N3O/c1-2-3-7-11-17-16-18-12-13-19(16)20-14-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3,(H,17,18)
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Article
PubMed
n/an/a<100n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2A in rat


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50132481
PNG
((1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-pentyl-...)
Show SMILES CCCCCNC1=NCCN1OCc1ccccc1
Show InChI InChI=1S/C15H23N3O/c1-2-3-7-10-16-15-17-11-12-18(15)19-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17)
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Article
PubMed
n/an/a 210n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2A in rat


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50132483
PNG
(CHEMBL108043 | Pentyl-(1-phenethyloxy-4,5-dihydro-...)
Show SMILES CCCCCNC1=NCCN1OCCc1ccccc1
Show InChI InChI=1S/C16H25N3O/c1-2-3-7-11-17-16-18-12-13-19(16)20-14-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3,(H,17,18)
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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2B in rat


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50132481
PNG
((1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-pentyl-...)
Show SMILES CCCCCNC1=NCCN1OCc1ccccc1
Show InChI InChI=1S/C15H23N3O/c1-2-3-7-10-16-15-17-11-12-18(15)19-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2B in rat


Bioorg Med Chem Lett 13: 3155-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00713-3
BindingDB Entry DOI: 10.7270/Q2VT1RHV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%