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BDBM50412249 CHEMBL493675

SMILES: CC(Oc1ccccc1CN=O)C1=NCCN1

InChI Key: InChIKey=FZLNIHYBYXMHEO-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 = 50412249   
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))
BDBM50412249
PNG
(CHEMBL493675)
Show SMILES CC(Oc1ccccc1CN=O)C1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-9(12-13-6-7-14-12)17-11-5-3-2-4-10(11)8-15-16/h2-5,9H,6-8H2,1H3,(H,13,14)
UniProtKB/SwissProt

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PubMed
288n/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)

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


(Homo sapiens (Human))
BDBM50412249
PNG
(CHEMBL493675)
Show SMILES CC(Oc1ccccc1CN=O)C1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-9(12-13-6-7-14-12)17-11-5-3-2-4-10(11)8-15-16/h2-5,9H,6-8H2,1H3,(H,13,14)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
708n/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)

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


(Homo sapiens (Human))
BDBM50412249
PNG
(CHEMBL493675)
Show SMILES CC(Oc1ccccc1CN=O)C1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-9(12-13-6-7-14-12)17-11-5-3-2-4-10(11)8-15-16/h2-5,9H,6-8H2,1H3,(H,13,14)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
912n/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)

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


(Homo sapiens (Human))
BDBM50412249
PNG
(CHEMBL493675)
Show SMILES CC(Oc1ccccc1CN=O)C1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-9(12-13-6-7-14-12)17-11-5-3-2-4-10(11)8-15-16/h2-5,9H,6-8H2,1H3,(H,13,14)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.98E+3n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)

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


(Homo sapiens (Human))
BDBM50412249
PNG
(CHEMBL493675)
Show SMILES CC(Oc1ccccc1CN=O)C1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-9(12-13-6-7-14-12)17-11-5-3-2-4-10(11)8-15-16/h2-5,9H,6-8H2,1H3,(H,13,14)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 501n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as stimulation of extracellular acidification


J Med Chem 51: 4289-99 (2008)

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


(Homo sapiens (Human))
BDBM50412249
PNG
(CHEMBL493675)
Show SMILES CC(Oc1ccccc1CN=O)C1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-9(12-13-6-7-14-12)17-11-5-3-2-4-10(11)8-15-16/h2-5,9H,6-8H2,1H3,(H,13,14)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 126n/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)

More data for this
Ligand-Target Pair