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Compile Data Set for Download or QSAR

Found 1422 hits with Last Name = 'bousquet' and Initial = 'p'   
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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0.200n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
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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0.219n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM215802
PNG
(US9303019, 8)
Show SMILES CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12 |c:3|
Show InChI InChI=1S/C14H17ClN2/c1-9-7-14(16-8-9)17-13-6-5-12(15)10-3-2-4-11(10)13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
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US Patent
0.220 -57.3n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070374
PNG
(CHEMBL3408293)
Show SMILES Cl.CC1CN\C(C1)=N/c1ccc(Cl)c2CCCc12
Show InChI InChI=1S/C14H17ClN2/c1-9-7-14(16-8-9)17-13-6-5-12(15)10-3-2-4-11(10)13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
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0.220n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50179395
PNG
(CHEMBL14640)
Show SMILES C(Oc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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0.891n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 binding sites in rabbit kidney membrane


J Med Chem 45: 32-40 (2002)


Article DOI: 10.1021/jm0110082
BindingDB Entry DOI: 10.7270/Q21N83VZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50179395
PNG
(CHEMBL14640)
Show SMILES C(Oc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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0.891n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50387823
PNG
(CHEMBL2058631)
Show SMILES CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
Show InChI InChI=1S/C10H11Cl2N3/c1-6-5-13-10(14-6)15-9-7(11)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,14,15)
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0.930n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Nischarin


(RAT)
BDBM50387823
PNG
(CHEMBL2058631)
Show SMILES CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
Show InChI InChI=1S/C10H11Cl2N3/c1-6-5-13-10(14-6)15-9-7(11)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,14,15)
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0.933n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
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



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheochromocytoma cells


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
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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1.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
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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1.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 42: 2737-40 (1999)


Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50138499
PNG
(2-Phenethyl-4,5-dihydro-1H-imidazole | CHEMBL14210)
Show SMILES C(Cc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C11H14N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5H,6-9H2,(H,12,13)
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM215805
PNG
(US9303019, 20)
Show SMILES CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1 |c:17|
Show InChI InChI=1S/C14H17ClN2/c1-9-5-8-14(16-9)17-13-7-6-12(15)10-3-2-4-11(10)13/h6-7,9H,2-5,8H2,1H3,(H,16,17)
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US Patent
2.80 -50.8n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070366
PNG
(CHEMBL3408289)
Show SMILES Cl.CC1CC\C(N1)=N\c1ccc(Cl)c2CCCc12
Show InChI InChI=1S/C14H17ClN2/c1-9-5-8-14(16-9)17-13-7-6-12(15)10-3-2-4-11(10)13/h6-7,9H,2-5,8H2,1H3,(H,16,17)
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2.80n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Nischarin


(Homo sapiens (Human))
BDBM215803
PNG
(US9303019, 9)
Show SMILES CC1CN=C(C1)Nc1ccc(C)c2CCCc12 |c:3|
Show InChI InChI=1S/C15H20N2/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
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US Patent
2.80 -50.8n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070375
PNG
(CHEMBL3408294)
Show SMILES Cl.CC1CN\C(C1)=N/c1ccc(C)c2CCCc12
Show InChI InChI=1S/C15H20N2/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
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2.80n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Nischarin


(RAT)
BDBM50070372
PNG
(CHEMBL3408291)
Show SMILES Cl.CC1CN\C(C1)=N\c1cccc(Cl)c1C
Show InChI InChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
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3.20n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Alpha-2A/Alpha-2B/Alpha-2C 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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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
Nischarin


(Homo sapiens (Human))
BDBM50091347
PNG
(CHEMBL71429)
Show SMILES CC(Cc1ccccc1)C1=NCCN1 |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)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheochromocytoma cells


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070329
PNG
(CHEMBL268734)
Show SMILES Cc1ccc(F)c(c1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H11FN2/c1-7-2-3-9(11)8(6-7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
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5.30n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50472306
PNG
(CHEMBL93845)
Show SMILES [H][C@]1(C[C@@]1([H])c1ccccc1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m0/s1
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50472306
PNG
(CHEMBL93845)
Show SMILES [H][C@]1(C[C@@]1([H])c1ccccc1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m0/s1
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6n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 42: 2737-40 (1999)


Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070361
PNG
(CHEMBL3408298)
Show SMILES CC1CC\C(N1)=N/c1cc(N=[N+]=[N-])c(I)cc1Cl
Show InChI InChI=1S/C11H11ClIN5/c1-6-2-3-11(15-6)16-9-5-10(17-18-14)8(13)4-7(9)12/h4-6H,2-3H2,1H3,(H,15,16)
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6n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Nischarin


(RAT)
BDBM50070330
PNG
(CHEMBL3408297)
Show SMILES NC1=NCC(COc2ccccc2Br)O1 |t:1|
Show InChI InChI=1S/C10H11BrN2O2/c11-8-3-1-2-4-9(8)14-6-7-5-13-10(12)15-7/h1-4,7H,5-6H2,(H2,12,13)
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6.40n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Nischarin


(Homo sapiens (Human))
BDBM215800
PNG
(US9303019, 1)
Show SMILES CC1CN=C(C1)Nc1cccc(Cl)c1C |c:3|
Show InChI InChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
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US Patent
8.10 -48.0n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
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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8.70n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Alpha-2C 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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9.30n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50262235
PNG
(rilmenidine)
Show SMILES C1CC1C(NC1=[NH+]CCO1)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)/p+1
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11n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50179398
PNG
(CHEMBL94022)
Show SMILES [H][C@@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m1/s1
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11.7n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell membranes


J Med Chem 42: 2737-40 (1999)


Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50179398
PNG
(CHEMBL94022)
Show SMILES [H][C@@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m1/s1
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheochromocytoma cells


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50179398
PNG
(CHEMBL94022)
Show SMILES [H][C@@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m1/s1
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12n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell membranes


J Med Chem 42: 2737-40 (1999)


Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7
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))
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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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortex membrane


J Med Chem 45: 32-40 (2002)


Article DOI: 10.1021/jm0110082
BindingDB Entry DOI: 10.7270/Q21N83VZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50262235
PNG
(rilmenidine)
Show SMILES C1CC1C(NC1=[NH+]CCO1)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)/p+1
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13n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
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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14n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Nischarin


(Homo sapiens (Human))
BDBM50472305
PNG
(CHEMBL67706)
Show SMILES C1C(C1c1ccccc1)C1=NCCN1 |t:11|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheochromocytoma cells


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM215801
PNG
(US9303019, 5)
Show SMILES CC1CCC(Nc2cccc3CCCc23)=N1 |c:16|
Show InChI InChI=1S/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
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US Patent
19 -45.8n/an/an/an/an/a7.3537



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell membranes


J Med Chem 42: 2737-40 (1999)


Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070373
PNG
(CHEMBL3408292)
Show SMILES Cl.CC1CN\C(C1)=N/c1cccc2CCCc12
Show InChI InChI=1S/C14H18N2/c1-10-8-14(15-9-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Nischarin


(Homo sapiens (Human))
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



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheochromocytoma cells


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070364
PNG
(CHEMBL3408285)
Show SMILES Cl.CC1CC\C(N1)=N\c1cccc2CCCc12
Show InChI InChI=1S/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50472305
PNG
(CHEMBL67706)
Show SMILES C1C(C1c1ccccc1)C1=NCCN1 |t:11|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)
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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]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50472306
PNG
(CHEMBL93845)
Show SMILES [H][C@]1(C[C@@]1([H])c1ccccc1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m0/s1
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23n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Predicted affinity for imidazoline receptor I2 by three field CoMFA model


J Med Chem 42: 2737-40 (1999)


Article DOI: 10.1021/jm991049m
BindingDB Entry DOI: 10.7270/Q2KW5JR7
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070363
PNG
(CHEMBL3408284)
Show SMILES Cl.CC1CC\C(N1)=N/c1cccc(Cl)c1C
Show InChI InChI=1S/C12H15ClN2/c1-8-6-7-12(14-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
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27n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Alpha-2B 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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32n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
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))
BDBM50473618
PNG
(CHEMBL337945)
Show SMILES CC(Oc1ccc(cc1)-c1ccccc1)C1=NCCN1 |t:17|
Show InChI InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,18,19)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortex membrane


J Med Chem 45: 32-40 (2002)


Article DOI: 10.1021/jm0110082
BindingDB Entry DOI: 10.7270/Q21N83VZ
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))
BDBM50417354
PNG
(CHEMBL396013)
Show SMILES C[C@H](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)/t13-/m0/s1
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortex membrane


J Med Chem 45: 32-40 (2002)


Article DOI: 10.1021/jm0110082
BindingDB Entry DOI: 10.7270/Q21N83VZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Homo sapiens (Human))
BDBM50473129
PNG
(Phenamazoline)
Show SMILES C(Nc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)
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antibodypedia
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33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from imidazoline receptor I-2 binding sites in rabbit kidney membrane


J Med Chem 45: 32-40 (2002)


Article DOI: 10.1021/jm0110082
BindingDB Entry DOI: 10.7270/Q21N83VZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50262235
PNG
(rilmenidine)
Show SMILES C1CC1C(NC1=[NH+]CCO1)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)/p+1
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36n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070368
PNG
(CHEMBL3408290)
Show SMILES Cl.CC1CN\C(C1)=N\c1cccc(C)c1C
Show InChI InChI=1S/C13H18N2.ClH/c1-9-7-13(14-8-9)15-12-6-4-5-10(2)11(12)3;/h4-6,9H,7-8H2,1-3H3,(H,14,15);1H
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42n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting


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
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50262235
PNG
(rilmenidine)
Show SMILES C1CC1C(NC1=[NH+]CCO1)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)/p+1
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43n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter


Bioorg Med Chem 20: 4710-5 (2012)


Article DOI: 10.1016/j.bmc.2012.06.008
BindingDB Entry DOI: 10.7270/Q26Q1Z9Q
More data for this
Ligand-Target Pair
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