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BDBM50196128 (3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiperazin-1-yl)-phenyl]amine::CHEMBL384925

SMILES: CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1

InChI Key: InChIKey=CNOXIXMPZLKURQ-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 = 50196128   
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))
BDBM50196128
PNG
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35.0n/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))
BDBM50196128
PNG
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/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))
BDBM50196128
PNG
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
96n/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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196128
PNG
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
580n/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