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BDBM50196109 (2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrido[1,2-a]-pyrazin-2-yl)phenyl]amine::CHEMBL425983

SMILES: Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C

InChI Key: InChIKey=MZAWJNSMQVUPQW-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 = 50196109   
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))
BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1S/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1S/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1S/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
715n/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-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1S/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.33E+3n/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