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Compile Data Set for Download or QSAR

Found 128 hits of ki 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))
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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0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


Citation and Details
More data for this
Ligand-Target Pair
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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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


Citation and Details
More data for this
Ligand-Target Pair
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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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor of HT-29 cells


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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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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


(Homo sapiens (Human))
BDBM50213214
PNG
(CHEMBL42139)
Show SMILES C1CN=C(Nc2ccc3OCCOc3c2)N1
Show InChI InChI=1S/C11H13N3O2/c1-2-9-10(16-6-5-15-9)7-8(1)14-11-12-3-4-13-11/h1-2,7H,3-6H2,(H2,12,13,14)
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3.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
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



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
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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5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine


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))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


Article DOI: 10.1021/jm00373a018
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50213211
PNG
(CHEMBL50769)
Show SMILES COc1ccc(NC2=NCCN2)c(C)c1OC
Show InChI InChI=1S/C12H17N3O2/c1-8-9(15-12-13-6-7-14-12)4-5-10(16-2)11(8)17-3/h4-5H,6-7H2,1-3H3,(H2,13,14,15)
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5.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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


(Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


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


(Homo sapiens (Human))
BDBM50225305
PNG
(CHEMBL433730)
Show SMILES Clc1cccc2CCN(CC=C)CCc12
Show InChI InChI=1S/C13H16ClN/c1-2-8-15-9-6-11-4-3-5-13(14)12(11)7-10-15/h2-5H,1,6-10H2
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


Article DOI: 10.1021/jm00373a018
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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6.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


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


(Homo sapiens (Human))
BDBM50225327
PNG
(CHEMBL31062)
Show SMILES CNCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO2/c1-12-6-7-2-3-9-8(7)4-5-10(13)11(9)14/h4-5,7,12-14H,2-3,6H2,1H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2 adrenergic receptor


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50213213
PNG
(CHEMBL50430)
Show SMILES Cc1ccccc1N=C1NCCN1
Show InChI InChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
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7.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


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))
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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9.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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


(Homo sapiens (Human))
BDBM50225302
PNG
(CHEMBL433083)
Show SMILES CN(C)CC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO3/c1-12(2)5-10-7-3-4-9(13)11(14)8(7)6-15-10/h3-4,10,13-14H,5-6H2,1-2H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


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))
BDBM50225343
PNG
(CHEMBL31195)
Show SMILES NCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-5-6-1-2-8-7(6)3-4-9(12)10(8)13/h3-4,6,12-13H,1-2,5,11H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM66983
PNG
(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazep...)
Show SMILES CN1CCc2cccc(Cl)c2CC1
Show InChI InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


Article DOI: 10.1021/jm00373a018
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225303
PNG
(CHEMBL52069)
Show SMILES CNCC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO3/c1-11-4-9-6-2-3-8(12)10(13)7(6)5-14-9/h2-3,9,11-13H,4-5H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225334
PNG
(CHEMBL281064)
Show SMILES CN(C)CC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C12H17NO2/c1-13(2)7-8-3-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,14-15H,3-4,7H2,1-2H3
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine


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))
BDBM50213029
PNG
(CHEMBL49395)
Show SMILES C1CN=C(Nc2ccc3nccnc3c2)N1
Show InChI InChI=1S/C11H11N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-4,7H,5-6H2,(H2,14,15,16)
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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


(Homo sapiens (Human))
BDBM50213216
PNG
(CHEMBL883)
Show SMILES NC(=N)Nc1ccc2nccnc2c1Br
Show InChI InChI=1S/C9H8BrN5/c10-7-5(15-9(11)12)1-2-6-8(7)14-4-3-13-6/h1-4H,(H4,11,12,15)
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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


(Homo sapiens (Human))
BDBM50213027
PNG
(CHEMBL342029)
Show SMILES C1CN=C(Nc2ccc3NCCNc3c2)N1
Show InChI InChI=1S/C11H15N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-2,7,12-13H,3-6H2,(H2,14,15,16)
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46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


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


(Homo sapiens (Human))
BDBM50225307
PNG
(CHEMBL170660)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C)c2CC1
Show InChI InChI=1S/C14H18ClNO/c1-3-10-17-14-5-4-13(15)11-6-8-16(2)9-7-12(11)14/h3-5H,1,6-10H2,2H3
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from four to five separate experiments usi...


J Med Chem 27: 918-21 (1984)


Article DOI: 10.1021/jm00373a018
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50213029
PNG
(CHEMBL49395)
Show SMILES C1CN=C(Nc2ccc3nccnc3c2)N1
Show InChI InChI=1S/C11H11N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-4,7H,5-6H2,(H2,14,15,16)
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64n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


Citation and Details
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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66n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine


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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74n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


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))
BDBM50050093
PNG
((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...)
Show SMILES COc1nc(C)nc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
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75n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225443
PNG
(CHEMBL299786)
Show SMILES NCC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C9H11NO3/c10-3-8-5-1-2-7(11)9(12)6(5)4-13-8/h1-2,8,11-12H,3-4,10H2
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50095890
PNG
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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87n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Inhibition of currents elicited by GABA at EC5 (6-12 uM)


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
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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95n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


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))
BDBM50031373
PNG
(CHEMBL3358509)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
Show InChI InChI=1S/C24H28N4O/c29-24(21-10-11-23-20(19-21)7-6-13-25-23)26-12-4-5-14-27-15-17-28(18-16-27)22-8-2-1-3-9-22/h1-3,6-11,13,19H,4-5,12,14-18H2,(H,26,29)
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150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to alpha2 adrenoreceptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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160n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
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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166n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


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))
BDBM50070119
PNG
(CHEMBL3408022)
Show SMILES N=C(Nc1ccccc1)Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C16H18N4/c17-16(18-13-7-2-1-3-8-13)20-15-11-10-12-6-4-5-9-14(12)19-15/h1-3,7-8,10-11H,4-6,9H2,(H3,17,18,19,20)
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178n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


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))
BDBM50213217
PNG
(CHEMBL298124)
Show SMILES CN(C1=NCCN1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C12H15N3O2/c1-15(12-13-4-5-14-12)9-2-3-10-11(8-9)17-7-6-16-10/h2-3,8H,4-7H2,1H3,(H,13,14)
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180n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


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


(Homo sapiens (Human))
BDBM50070328
PNG
(CHEBI:8862 | RILMENIDINE | Rilmenidine)
Show SMILES C1CC1C(NC1=NCCO1)C1CC1
Show InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
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180n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070111
PNG
(CHEMBL3408030)
Show SMILES CCCNC(=N)Nc1ccc(C)cn1
Show InChI InChI=1S/C10H16N4/c1-3-6-12-10(11)14-9-5-4-8(2)7-13-9/h4-5,7H,3,6H2,1-2H3,(H3,11,12,13,14)
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182n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


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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214n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


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))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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230n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Ability to enhance currents from alpha-1-beta-2-gamma-2L-subunit of GABA receptor elicited by low concentrations of GABA


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50021546
PNG
(4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol ...)
Show SMILES CNCC(O)c1cc(O)ccc1F
Show InChI InChI=1S/C9H12FNO2/c1-11-5-9(13)7-4-6(12)2-3-8(7)10/h2-4,9,11-13H,5H2,1H3
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]clonidine form alpha-2 adrenergic receptor site in guinea pig cerebral cortical membranes.


J Med Chem 29: 1982-8 (1986)


Article DOI: 10.1021/jm00160a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225306
PNG
(CHEMBL355527)
Show SMILES C=CCOc1ccc2CCNCCc2c1
Show InChI InChI=1S/C13H17NO/c1-2-9-15-13-4-3-11-5-7-14-8-6-12(11)10-13/h2-4,10,14H,1,5-9H2
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232n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in preparations in human platelet membranes from three separate experi...


J Med Chem 27: 918-21 (1984)


Article DOI: 10.1021/jm00373a018
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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263n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50171234
PNG
(CHEMBL365751 | [2-(5-Chloro-2-methyl-1H-indol-3-yl...)
Show SMILES CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3
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UniChem

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Article
PubMed
300n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant alpha2 adrenergic receptor


J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
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