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PubMed code 18621536

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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
Imidazoline receptor 1 (I1R)


(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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4.20n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50021809
PNG
((2,6-Dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imida...)
Show SMILES Clc1cc(I)cc(Cl)c1N=C1NCCN1
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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4.80n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50412317
PNG
(CHEMBL468161)
Show SMILES CC1CCC(Nc2cc(N[N+]#N)c(I)cc2Cl)=N1
Show InChI InChI=1S/C11H12ClIN5/c1-6-2-3-11(15-6)16-9-5-10(17-18-14)8(13)4-7(9)12/h4-6,17H,2-3H2,1H3,(H,15,16)/q+1
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6.03n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 expressed in rat PC12 cells


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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6.20n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(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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11.4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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19.0n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50240671
PNG
((5-Chloro-benzo[1,2,5]thiadiazol-4-yl)-(4,5-dihydr...)
Show SMILES Clc1ccc2nsnc2c1NC1=NCCN1
Show InChI InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)
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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 human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM96725
PNG
(2-[(E)-(2,6-dichlorobenzylidene)amino]guanidine | ...)
Show SMILES NC(N)=NN=Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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34.7n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50262233
PNG
(efaroxane)
Show SMILES CCC1(Cc2ccccc2O1)C1=[NH+]CCN1
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)/p+1
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52.4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(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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55n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50262235
PNG
(rilmenidine)
Show SMILES C1CC1C(NC1=[NH+]CCO1)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)/p+1
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59.2n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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99n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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122n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50262238
PNG
(2-(4-Chloro-1,3-dihydro-isoindol-2-ylamino)-4,5-di...)
Show SMILES Clc1cccc2CN(Cc12)[NH+]=C1NCCN1
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)/p+1
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232n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
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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1.26E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)


Article DOI: 10.1016/j.bmc.2008.06.051
BindingDB Entry DOI: 10.7270/Q2FX7BCP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%