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Found 19 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50016897'   
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))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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3.80n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-2A adrenergic receptor


J Med Chem 39: 1193-5 (1996)


Article DOI: 10.1021/jm960012o
BindingDB Entry DOI: 10.7270/Q2NZ889J
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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3.80n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamst...


J Med Chem 39: 3533-8 (1996)


Article DOI: 10.1021/jm960359r
BindingDB Entry DOI: 10.7270/Q2PC31GF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Alpha-2A adrenergic receptor by the displacement of [3H]rauwolscine


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ70ZD
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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8.70n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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28n/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))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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31.6n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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35.5n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(MOUSE)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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40.7n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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50.1n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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61.7n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(MOUSE)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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61.7n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(PIG)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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85.1n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 539-47 (2000)


BindingDB Entry DOI: 10.7270/Q2TM78NR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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853n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(BOVINE)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration of the compound necessary to achieve half maximal inhibition of [3H]-clonidine binding to Alpha-2 adrenergic receptor at 1 uM


J Med Chem 32: 720-7 (1989)


BindingDB Entry DOI: 10.7270/Q2639NQ6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/an/an/a 8.10n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2A adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ70ZD
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/an/an/a 8.30n/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2A adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/an/an/a 30n/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor alpha2A expressed in CHOK1 cells assessed as stimulation of agonist-induced [35S]GTPgammaS binding by scintill...


Bioorg Med Chem 20: 108-16 (2011)


Article DOI: 10.1016/j.bmc.2011.11.025
BindingDB Entry DOI: 10.7270/Q2DJ5G10
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/an/an/a 30n/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane incubated for 30 mins by [35S]GTPgammaS binding assay


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))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/an/an/a 28n/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha2A adrenergic receptor expressed in CHO cells assessed as induction of [35S]GTPgammaS binding after 60 min...


Bioorg Med Chem 19: 321-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.020
BindingDB Entry DOI: 10.7270/Q2FQ9WX5
More data for this
Ligand-Target Pair