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2 similar compounds to monomer 50086673

Compile data set for download or QSAR
Wt: 429.5
BDBM50086670
Wt: 417.4
BDBM50086679

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50086670,50086679   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50086670
PNG
(8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)
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27n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50086679
PNG
(8-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydrox...)
Show SMILES OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O3S/c22-15-4-6-16(7-5-15)25-10-8-24(9-11-25)12-17(26)13-28-19-3-1-2-18-21(19)29-14-20(27)23-18/h1-7,17,26H,8-14H2,(H,23,27)
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60n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50086670
PNG
(8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)
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88n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50086670
PNG
(8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)
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330n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50086670
PNG
(8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex; Not Active means Ki >1000...


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50086679
PNG
(8-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydrox...)
Show SMILES OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O3S/c22-15-4-6-16(7-5-15)25-10-8-24(9-11-25)12-17(26)13-28-19-3-1-2-18-21(19)29-14-20(27)23-18/h1-7,17,26H,8-14H2,(H,23,27)
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung; Not Active means Ki >1000 nM


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50086679
PNG
(8-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydrox...)
Show SMILES OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O3S/c22-15-4-6-16(7-5-15)25-10-8-24(9-11-25)12-17(26)13-28-19-3-1-2-18-21(19)29-14-20(27)23-18/h1-7,17,26H,8-14H2,(H,23,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50086679
PNG
(8-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydrox...)
Show SMILES OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O3S/c22-15-4-6-16(7-5-15)25-10-8-24(9-11-25)12-17(26)13-28-19-3-1-2-18-21(19)29-14-20(27)23-18/h1-7,17,26H,8-14H2,(H,23,27)
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Article
PubMed
6.70E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...


Bioorg Med Chem Lett 10: 465-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00016-0
BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair