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BDBM50196148 CHEMBL218730::[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,5,7-tetramethylquinolin-4-yl)amine

SMILES: CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1

InChI Key: InChIKey=ISQPPFGYKGDIHL-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 = 50196148   
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))
BDBM50196148
PNG
(CHEMBL218730 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
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Article
PubMed
132n/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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196148
PNG
(CHEMBL218730 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
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PC sid
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Article
PubMed
132n/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))
BDBM50196148
PNG
(CHEMBL218730 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
PDB

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PubMed
650n/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))
BDBM50196148
PNG
(CHEMBL218730 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
910n/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