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BDBM50196133 (3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-1-yl)phenyl]amine::CHEMBL217180

SMILES: CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1

InChI Key: InChIKey=BDODJZYHQXXMMX-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50196133   
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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196133
PNG
((3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
Show InChI InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
769n/an/an/an/an/an/an/an/a



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196133
PNG
((3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
Show InChI InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196133
PNG
((3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
Show InChI InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196133
PNG
((3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
Show InChI InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair