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Compile Data Set for Download or QSAR

Found 15 hits of ec50 data for complexid = 50000720   
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
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 0.300n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


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


(Homo sapiens (Human))
BDBM50213212
PNG
(CHEMBL50390)
Show SMILES Cc1c(NC2=NCCN2)ccc2OCCOc12
Show InChI InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)
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n/an/an/an/a 0.350n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


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


(Homo sapiens (Human))
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 1n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


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


(Homo sapiens (Human))
BDBM50052882
PNG
(AGN-193080 | CHEMBL298936 | Imidazolidin-2-ylidene...)
Show SMILES Cc1c(ccc2OCCNc12)N=C1NCCN1
Show InChI InChI=1S/C12H16N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13-6-7-17-10/h2-3,13H,4-7H2,1H3,(H2,14,15,16)
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


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


(Homo sapiens (Human))
BDBM50052881
PNG
(AGN-192172 | CHEMBL49284 | Imidazolidin-2-ylidene-...)
Show SMILES Cc1c(ccc2NCCNc12)N=C1NCCN1
Show InChI InChI=1S/C12H17N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-3,13-14H,4-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 3.5n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


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


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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PubMed
n/an/an/an/a 100n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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Article
PubMed
n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha 2-Adrenergic receptor for inhibition of 10 uM forskolin-elicited stimulation of adenylate cyclase in human platelet membra...


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50020819
PNG
(CHEMBL543126 | N-[2-Hydroxy-5-(2-methylamino-ethyl...)
Show SMILES CNCCc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C10H16N2O3S/c1-11-6-5-8-3-4-10(13)9(7-8)12-16(2,14)15/h3-4,7,11-13H,5-6H2,1-2H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration (EC50) against alpha-2-adrenoceptor in the guinea pig atrium


J Med Chem 28: 245-8 (1985)


Article DOI: 10.1021/jm00380a017
BindingDB Entry DOI: 10.7270/Q2XK8G31
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...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070101
PNG
(CHEMBL3407840)
Show SMILES 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...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070100
PNG
(CHEMBL3408018)
Show SMILES 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...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a>5.00E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha 2-Adrenergic receptor for inhibition of 10 uM forskolin-elicited stimulation of adenylate cyclase in human platelet membra...


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070099
PNG
(CHEMBL3408019)
Show SMILES 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...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070098
PNG
(CHEMBL3408028)
Show SMILES 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...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070081
PNG
(CHEMBL3408032)
Show SMILES 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...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair