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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-2C adrenergic receptor' and Ligand = 'BDBM50196115'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196115
PNG
(CHEMBL276417 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
43.0n/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))
BDBM50196115
PNG
(CHEMBL276417 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
43n/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