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BDBM50412245 CHEMBL495095

SMILES: CC(Oc1ccccc1CC=C)C1=NCCN1

InChI Key: InChIKey=MNMDMCKHXVHLAW-UHFFFAOYSA-N

Data: 10 KI  1 IC50  3 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 = 50412245   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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58n/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))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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85n/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))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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85n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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85n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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339n/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))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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339n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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339n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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n/an/an/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C adrenoreceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor m...


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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n/an/an/an/a 50n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as stimulation of extracellular acidification


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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n/an/an/an/a 50n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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MMDB

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n/an/a 1.69E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells after 240 secs by patch clamp assay


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair