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Compile Data Set for Download or QSAR

Found 366 hits with Last Name = 'laur' and Initial = 'j'   
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
Nischarin


(RAT)
BDBM50387827
PNG
(CHEMBL2058635)
Show SMILES CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
Show InChI InChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15)
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0.178n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma 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))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.363n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50021809
PNG
((2,6-Dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imida...)
Show SMILES Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
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0.794n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma 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
Nischarin


(RAT)
BDBM50091345
PNG
(CHEMBL2092861)
Show SMILES C[C@@H](Cc1ccccc1)C1=NCCN1 |r,t:10|
Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma 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)
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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
Nischarin


(RAT)
BDBM50240366
PNG
(2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole | 2-N...)
Show SMILES C1CN=C(N1)c1ccc2ccccc2c1 |c:2|
Show InChI InChI=1S/C13H12N2/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13/h1-6,9H,7-8H2,(H,14,15)
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1.30n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma 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-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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2.5n/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))
BDBM50179393
PNG
(Efaroxan)
Show SMILES CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)
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4.40n/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
Nischarin


(RAT)
BDBM50019646
PNG
(2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline ...)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
Show InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
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5.60n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma 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))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070328
PNG
(CHEBI:8862 | Rilmenidine)
Show SMILES C1CC1C(NC1=NCCO1)C1CC1 |t:6|
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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13n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma 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 [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50271255
PNG
(1-[(Imidazolidin-2-yl)imino]indazole hydrochloride...)
Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
Show InChI InChI=1S/C10H11N5/c1-2-4-9-8(3-1)7-13-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50138500
PNG
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)
Show SMILES C1CN=C(N1)\C=C\c1ccccc1 |c:2|
Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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19n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma 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-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497435
PNG
(CHEMBL3343699)
Show SMILES Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
Show InChI InChI=1S/C10H10FN5/c11-8-2-1-7-6-14-16(9(7)5-8)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)
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26n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412244
PNG
(CHEMBL495096)
Show SMILES CC(Oc1ccccc1C1CCCC1)C1=NCCN1 |t:16|
Show InChI InChI=1S/C16H22N2O/c1-12(16-17-10-11-18-16)19-15-9-5-4-8-14(15)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,17,18)
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412260
PNG
(CHEMBL273485)
Show SMILES CC(Oc1ccccc1)C1=NCCN1 |t:10|
Show InChI InChI=1S/C11H14N2O/c1-9(11-12-7-8-13-11)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50179397
PNG
(CHEMBL1162356)
Show SMILES Clc1cccc2CN(Cc12)NC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H13ClN4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11/h1-3H,4-7H2,(H2,13,14,15)
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28n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma 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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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 [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497438
PNG
(CHEMBL3343704)
Show SMILES Fc1ccc2cnn(CC3=NCCN3)c2c1 |t:9|
Show InChI InChI=1S/C11H11FN4/c12-9-2-1-8-6-15-16(10(8)5-9)7-11-13-3-4-14-11/h1-2,5-6H,3-4,7H2,(H,13,14)
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30n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50334197
PNG
(7-Chloro-3-[(imidazolidin-2-yl)imino]indazole hydr...)
Show SMILES Clc1cccc2c(N=C3NCCN3)[nH]nc12 |(13.68,-39.86,;13.64,-41.39,;12.29,-42.12,;12.25,-43.67,;13.56,-44.47,;14.92,-43.74,;16.37,-44.25,;17.18,-45.57,;18.71,-45.54,;19.59,-44.27,;21.07,-44.71,;21.09,-46.25,;19.64,-46.76,;17.3,-43.03,;16.43,-41.77,;14.95,-42.2,)|
Show InChI InChI=1S/C10H10ClN5/c11-7-3-1-2-6-8(7)15-16-9(6)14-10-12-4-5-13-10/h1-3H,4-5H2,(H3,12,13,14,15,16)
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30.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brain membrane after 45 mins by liquid scintillation counting


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
5-hydroxytryptamine receptor 1A/1B/1D/2C


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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31n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by PDSP Ki Database




EMBO J 10: 4017-23 (1991)


BindingDB Entry DOI: 10.7270/Q28K77K4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497439
PNG
(CHEMBL3343700)
Show SMILES Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
Show InChI InChI=1S/C10H10FN5/c11-8-3-1-2-7-6-14-16(9(7)8)15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)
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31n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164835
PNG
(CHEMBL3800398)
Show SMILES Cl.Fc1ccc2n(CC3=NCCN3)ccc2c1 |t:7|
Show InChI InChI=1S/C12H12FN3.ClH/c13-10-1-2-11-9(7-10)3-6-16(11)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H
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32n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497436
PNG
(CHEMBL3343703)
Show SMILES Fc1ccc2n(CC3=NCCN3)ncc2c1 |t:7|
Show InChI InChI=1S/C11H11FN4/c12-9-1-2-10-8(5-9)6-15-16(10)7-11-13-3-4-14-11/h1-2,5-6H,3-4,7H2,(H,13,14)
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32n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50497435
PNG
(CHEMBL3343699)
Show SMILES Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
Show InChI InChI=1S/C10H10FN5/c11-8-2-1-7-6-14-16(9(7)5-8)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)
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33n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human alpha2A adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50334195
PNG
(4-Chloro-3-[(imidazolidin-2-yl)imino]indazole hydr...)
Show SMILES Clc1cccc2n[nH]c(N=C3NCCN3)c12 |(20.22,-2.74,;20.26,-1.21,;18.95,-.4,;18.99,1.14,;20.34,1.87,;21.66,1.07,;23.13,1.5,;24.01,.23,;23.07,-.99,;23.88,-2.31,;25.41,-2.28,;26.29,-1.01,;27.77,-1.45,;27.8,-2.99,;26.34,-3.5,;21.62,-.47,)|
Show InChI InChI=1S/C10H10ClN5/c11-6-2-1-3-7-8(6)9(16-15-7)14-10-12-4-5-13-10/h1-3H,4-5H2,(H3,12,13,14,15,16)
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45.2n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brain membrane after 45 mins by liquid scintillation counting


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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412250
PNG
(CHEMBL128168)
Show SMILES CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50412251
PNG
(CHEMBL494885)
Show SMILES C1CN=C(N1)C(Oc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H16N2O/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412244
PNG
(CHEMBL495096)
Show SMILES CC(Oc1ccccc1C1CCCC1)C1=NCCN1 |t:16|
Show InChI InChI=1S/C16H22N2O/c1-12(16-17-10-11-18-16)19-15-9-5-4-8-14(15)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,17,18)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50271255
PNG
(1-[(Imidazolidin-2-yl)imino]indazole hydrochloride...)
Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
Show InChI InChI=1S/C10H11N5/c1-2-4-9-8(3-1)7-13-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)
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52n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human alpha2A adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50497440
PNG
(CHEMBL3343698)
Show SMILES Fc1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1
Show InChI InChI=1S/C10H10FN5/c11-8-1-2-9-7(5-8)6-14-16(9)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)
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64n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50497439
PNG
(CHEMBL3343700)
Show SMILES Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
Show InChI InChI=1S/C10H10FN5/c11-8-3-1-2-7-6-14-16(9(7)8)15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)
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65n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human alpha2A adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412251
PNG
(CHEMBL494885)
Show SMILES C1CN=C(N1)C(Oc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H16N2O/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50497435
PNG
(CHEMBL3343699)
Show SMILES Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
Show InChI InChI=1S/C10H10FN5/c11-8-2-1-7-6-14-16(9(7)5-8)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)
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72n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human alpha2B adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412258
PNG
(CHEMBL451229)
Show SMILES CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H24N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,18,19)
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74n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412258
PNG
(CHEMBL451229)
Show SMILES CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H24N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,18,19)
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78n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164841
PNG
(CHEMBL3798191)
Show SMILES Cl.Brc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Show InChI InChI=1S/C12H12BrN3.ClH/c13-10-3-1-2-9-4-7-16(12(9)10)8-11-14-5-6-15-11;/h1-4,7H,5-6,8H2,(H,14,15);1H
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79n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50271255
PNG
(1-[(Imidazolidin-2-yl)imino]indazole hydrochloride...)
Show SMILES [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
Show InChI InChI=1S/C10H11N5/c1-2-4-9-8(3-1)7-13-15(9)14-10-11-5-6-12-10/h1-4,7H,5-6H2,(H2,11,12,14)
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79n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human alpha2B adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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85n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412251
PNG
(CHEMBL494885)
Show SMILES C1CN=C(N1)C(Oc1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C16H16N2O/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
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93n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412252
PNG
(CHEMBL492648)
Show SMILES COC1(COc2cccc(-c3ccccc3)c2O1)C1=NCCN1 |t:21|
Show InChI InChI=1S/C18H18N2O3/c1-21-18(17-19-10-11-20-17)12-22-15-9-5-8-14(16(15)23-18)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,20)
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126n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Nischarin


(RAT)
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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126n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma 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
Nischarin


(RAT)
BDBM50334196
PNG
(3-[(Imidazolidin-2-yl)imino]-4-methylindazole hydr...)
Show SMILES Cc1cccc2n[nH]c(N=C3NCCN3)c12 |(-5.16,-15.24,;-5.12,-13.71,;-6.43,-12.91,;-6.38,-11.36,;-5.04,-10.63,;-3.72,-11.44,;-2.24,-11.01,;-1.37,-12.27,;-2.31,-13.49,;-1.5,-14.81,;.03,-14.78,;.91,-13.51,;2.39,-13.95,;2.42,-15.49,;.97,-16,;-3.76,-12.98,)|
Show InChI InChI=1S/C11H13N5/c1-7-3-2-4-8-9(7)10(16-15-8)14-11-12-5-6-13-11/h2-4H,5-6H2,1H3,(H3,12,13,14,15,16)
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133n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brain membrane after 45 mins by liquid scintillation counting


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
Nischarin


(RAT)
BDBM50334194
PNG
(3-[(Imidazolidin-2-yl)imino]indazole hydrochloride...)
Show SMILES C1CNC(N1)=Nc1[nH]nc2ccccc12 |(1.21,-.87,;1.24,-2.41,;-.21,-2.92,;-1.14,-1.7,;-.27,-.43,;-2.68,-1.73,;-3.49,-.41,;-2.55,.82,;-3.42,2.08,;-4.9,1.65,;-6.21,2.45,;-7.56,1.72,;-7.61,.18,;-6.29,-.63,;-4.93,.11,)|
Show InChI InChI=1S/C10H11N5/c1-2-4-8-7(3-1)9(15-14-8)13-10-11-5-6-12-10/h1-4H,5-6H2,(H3,11,12,13,14,15)
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134n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brain membrane after 45 mins by liquid scintillation counting


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
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50497439
PNG
(CHEMBL3343700)
Show SMILES Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
Show InChI InChI=1S/C10H10FN5/c11-8-3-1-2-7-6-14-16(9(7)8)15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)
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158n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human alpha2B adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting


Eur J Med Chem 87: 386-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.083
BindingDB Entry DOI: 10.7270/Q2MW2M45
More data for this
Ligand-Target Pair
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