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PubMed code 19101144

Compile data set for download or QSAR
Found 12 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
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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PubMed
n/an/a 366n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256481
PNG
(([4(5)S]-4(5)-(2-aminoethyl)imidazoline) dihydrobr...)
Show SMILES NCC[C@H]1CNC(N)=N1 |r,c:7|
Show InChI InChI=1S/C5H12N4/c6-2-1-4-3-8-5(7)9-4/h4H,1-3,6H2,(H3,7,8,9)/t4-/m0/s1
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n/an/a 477n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256484
PNG
((R)-2-(4,5-dihydro-1H-imidazol-5-yl)ethanamine dih...)
Show SMILES NCC[C@@H]1CNC=N1 |r,c:6|
Show InChI InChI=1S/C5H11N3/c6-2-1-5-3-7-4-8-5/h4-5H,1-3,6H2,(H,7,8)/t5-/m1/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM85213
PNG
(Agmatine | CAS_306-60-5 | CHEMBL58343 | NSC_199 | ...)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
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n/an/a 3.65E+4n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Wistar rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256541
PNG
((S)-5-(2-(dimethylamino)ethyl)-4,5-dihydro-1H-imid...)
Show SMILES CN(C)CC[C@H]1CNC(N)=N1 |r,c:9|
Show InChI InChI=1S/C7H16N4/c1-11(2)4-3-6-5-9-7(8)10-6/h6H,3-5H2,1-2H3,(H3,8,9,10)/t6-/m0/s1
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n/an/a 4.49E+4n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256542
PNG
((S)-2-(4,5-dihydro-1H-imidazol-5-yl)-N,N-dimethyle...)
Show SMILES CN(C)CC[C@H]1CNC=N1 |r,c:8|
Show InChI InChI=1S/C7H15N3/c1-10(2)4-3-7-5-8-6-9-7/h6-7H,3-5H2,1-2H3,(H,8,9)/t7-/m0/s1
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n/an/a 6.40E+4n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256482
PNG
((R)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-ami...)
Show SMILES NCC[C@@H]1CNC(N)=N1 |r,c:7|
Show InChI InChI=1S/C5H12N4/c6-2-1-4-3-8-5(7)9-4/h4H,1-3,6H2,(H3,7,8,9)/t4-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256483
PNG
((S)-2-(4,5-dihydro-1H-imidazol-5-yl)ethanamine dih...)
Show SMILES NCC[C@H]1CNC=N1 |r,c:6|
Show InChI InChI=1S/C5H11N3/c6-2-1-5-3-7-4-8-5/h4-5H,1-3,6H2,(H,7,8)/t5-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256485
PNG
((S)-2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethan...)
Show SMILES CC1=N[C@@H](CCN)CN1 |r,t:1|
Show InChI InChI=1S/C6H13N3/c1-5-8-4-6(9-5)2-3-7/h6H,2-4,7H2,1H3,(H,8,9)/t6-/m0/s1
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n/an/a 1.15E+5n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256540
PNG
((S)-N-(2-(4,5-dihydro-1H-imidazol-5-yl)ethyl)aceta...)
Show SMILES CC(=O)NCC[C@H]1CNC=N1 |r,c:9|
Show InChI InChI=1S/C7H13N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h5,7H,2-4H2,1H3,(H,8,10)(H,9,11)/t7-/m0/s1
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n/an/a 2.13E+5n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256486
PNG
((S)-N-(2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)eth...)
Show SMILES CC(=O)NCC[C@H]1CNC(N)=N1 |r,c:10|
Show InChI InChI=1S/C7H14N4O/c1-5(12)9-3-2-6-4-10-7(8)11-6/h6H,2-4H2,1H3,(H,9,12)(H3,8,10,11)/t6-/m0/s1
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n/an/a 2.35E+5n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50256487
PNG
((R)-N-(2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)eth...)
Show SMILES CC(=O)NCC[C@@H]1CNC(N)=N1 |r,c:10|
Show InChI InChI=1S/C7H14N4O/c1-5(12)9-3-2-6-4-10-7(8)11-6/h6H,2-4H2,1H3,(H,9,12)(H3,8,10,11)/t6-/m1/s1
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n/an/a 3.83E+5n/an/an/an/an/an/a



Gda£?sk University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting


Bioorg Med Chem Lett 19: 1009-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.055
BindingDB Entry DOI: 10.7270/Q2125SJ6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%