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Compile Data Set for Download or QSAR

Found 10 hits of ec50 for Adrenergic receptor alpha-2
having polymerids = 49000232 and
complexids = 50000720,50003305   
Target
(Institution)
LigandTarget
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
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50055832
PNG
((1H-Imidazol-2-yl)-(5-methyl-2,3-dihydro-benzo[1,4...)
Show SMILES Cc1c(Nc2ncc[nH]2)ccc2OCCOc12
Show InChI InChI=1S/C12H13N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-5H,6-7H2,1H3,(H2,13,14,15)
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n/an/an/an/a 41n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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n/an/an/an/a 55n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50055830
PNG
((1H-Imidazol-2-yl)-(5-methyl-3,4-dihydro-2H-benzo[...)
Show SMILES Cc1c(Nc2ncc[nH]2)ccc2OCCNc12
Show InChI InChI=1S/C12H14N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13-6-7-17-10/h2-5,13H,6-7H2,1H3,(H2,14,15,16)
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n/an/an/an/a 470n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50055835
PNG
((4-tert-Butyl-3-methoxy-2,6-dimethyl-phenyl)-(1H-i...)
Show SMILES COc1c(C)c(Nc2ncc[nH]2)c(C)cc1C(C)(C)C
Show InChI InChI=1S/C16H23N3O/c1-10-9-12(16(3,4)5)14(20-6)11(2)13(10)19-15-17-7-8-18-15/h7-9H,1-6H3,(H2,17,18,19)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-HUMAN)
BDBM50070076
PNG
(CHEMBL3407828)
Show SMILES Cl.NC(=N)Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C10H14N4.ClH/c11-10(12)14-9-6-5-7-3-1-2-4-8(7)13-9;/h5-6H,1-4H2,(H4,11,12,13,14);1H
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n/an/an/an/a 2.71E+3n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-HUMAN)
BDBM50070101
PNG
(CHEMBL3407840)
Show SMILES Cl.C1CN=C(Nc2ccc3CCCCc3n2)N1
Show InChI InChI=1S/C12H16N4/c1-2-4-10-9(3-1)5-6-11(15-10)16-12-13-7-8-14-12/h5-6H,1-4,7-8H2,(H2,13,14,15,16)
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n/an/an/an/a 3.57E+3n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-HUMAN)
BDBM50070100
PNG
(CHEMBL3408018)
Show SMILES Cl.C1CN=C(Nc2cnc3CCCCc3c2)N1
Show InChI InChI=1S/C12H16N4/c1-2-4-11-9(3-1)7-10(8-15-11)16-12-13-5-6-14-12/h7-8H,1-6H2,(H2,13,14,16)
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n/an/an/an/a 4.23E+3n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-HUMAN)
BDBM50070099
PNG
(CHEMBL3408019)
Show SMILES Cl.CCNc1ccc(NC2=NCCN2)cn1
Show InChI InChI=1S/C10H15N5/c1-2-11-9-4-3-8(7-14-9)15-10-12-5-6-13-10/h3-4,7H,2,5-6H2,1H3,(H,11,14)(H2,12,13,15)
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n/an/an/an/a 6.71E+3n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-HUMAN)
BDBM50070098
PNG
(CHEMBL3408028)
Show SMILES Cl.N=C(NCc1ccco1)Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19)
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n/an/an/an/a 3.70E+4n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-HUMAN)
BDBM50070081
PNG
(CHEMBL3408032)
Show SMILES Cl.OCCNC1=NCc2ccccc2N1
Show InChI InChI=1S/C10H13N3O/c14-6-5-11-10-12-7-8-3-1-2-4-9(8)13-10/h1-4,14H,5-7H2,(H2,11,12,13)
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n/an/an/an/a 6.03E+4n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


Citation and Details
More data for this
Ligand-Target Pair