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BDBM50419889 CHEMBL155866

SMILES: CC(Oc1c(C)cccc1C)C1=NCCN1

InChI Key: InChIKey=JWAAXMLRAVOKBQ-UHFFFAOYSA-N

Data: 3 KI  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 6 hits for monomerid = 50419889   
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))
BDBM50419889
PNG
(CHEMBL155866)
Show SMILES CC(Oc1c(C)cccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15-13/h4-6,11H,7-8H2,1-3H3,(H,14,15)
UniProtKB/SwissProt

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PubMed
12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50419889
PNG
(CHEMBL155866)
Show SMILES CC(Oc1c(C)cccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15-13/h4-6,11H,7-8H2,1-3H3,(H,14,15)
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
182n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in CHO cells


Bioorg Med Chem 20: 2082-90 (2012)

More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50419889
PNG
(CHEMBL155866)
Show SMILES CC(Oc1c(C)cccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15-13/h4-6,11H,7-8H2,1-3H3,(H,14,15)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in CHO cells


Bioorg Med Chem 20: 2082-90 (2012)

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419889
PNG
(CHEMBL155866)
Show SMILES CC(Oc1c(C)cccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15-13/h4-6,11H,7-8H2,1-3H3,(H,14,15)
UniProtKB/SwissProt

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PubMed
n/an/an/an/a 19n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50419889
PNG
(CHEMBL155866)
Show SMILES CC(Oc1c(C)cccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15-13/h4-6,11H,7-8H2,1-3H3,(H,14,15)
UniProtKB/SwissProt

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PubMed
n/an/an/an/a 1.48E+3n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)

More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50419889
PNG
(CHEMBL155866)
Show SMILES CC(Oc1c(C)cccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15-13/h4-6,11H,7-8H2,1-3H3,(H,14,15)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)

More data for this
Ligand-Target Pair