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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM81807'   
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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PubMed
0.330n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair