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BDBM50196139 (3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]amine::CHEMBL218679

SMILES: CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1

InChI Key: InChIKey=RXEIREHXCVZQFP-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 = 50196139   
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))
BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/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))
BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/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))
BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
895n/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))
BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.27E+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