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BDBM50218115 (R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihydro-1H-imidazole::CHEMBL242693

SMILES: C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1

InChI Key: InChIKey=NMSAVNXFCXMJJY-GFCCVEGCSA-N

Data: 10 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50218115   
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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60n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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81n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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81n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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234n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO cells


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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257n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO cells


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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257n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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363n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2c receptor expressed in CHO cells in presence of GppNHp/Na


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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661n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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741n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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741n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonistic potency at human adrenergic alpha2C receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonistic potency at human adrenergic alpha2C receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50218115
PNG
((R)-2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihy...)
Show SMILES C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
Show InChI InChI=1S/C17H17N3O3/c1-12(17-18-9-10-19-17)23-16-8-3-2-7-15(16)13-5-4-6-14(11-13)20(21)22/h2-8,11-12H,9-10H2,1H3,(H,18,19)/t12-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair