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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50046020   
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)
BDBM50091345
PNG
(CHEMBL2092861)
Show SMILES C[C@@H](Cc1ccccc1)C1=NCCN1
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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Article
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1.10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091347
PNG
(CHEMBL71429)
Show SMILES CC(Cc1ccccc1)C1=NCCN1
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



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091336
PNG
(CHEMBL3582266)
Show SMILES C[C@@H](Cc1ccccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091338
PNG
(CHEMBL3582264)
Show SMILES CC(Cc1ccccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)
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23n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091341
PNG
(CHEMBL3582261)
Show SMILES CC(Cc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C16H18N2S/c1-12(16-17-7-8-18-16)10-13-4-2-3-5-15(13)14-6-9-19-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)
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63n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091342
PNG
(CHEMBL3582260)
Show SMILES C[C@@H](Cc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C18H20N2/c1-14(18-19-11-12-20-18)13-16-9-5-6-10-17(16)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)/t14-/m0/s1
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98n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50412250
PNG
(CHEMBL128168)
Show SMILES CC(Oc1ccccc1-c1ccccc1)C1=NCCN1
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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126n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091344
PNG
(CHEMBL3582258)
Show SMILES CC(Cc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C18H20N2/c1-14(18-19-11-12-20-18)13-16-9-5-6-10-17(16)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)
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155n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091335
PNG
(CHEMBL3582267)
Show SMILES CC(Cc1ccccc1Cl)C1=NCCN1
Show InChI InChI=1S/C12H15ClN2/c1-9(12-14-6-7-15-12)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,15)
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195n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50412260
PNG
(CHEMBL273485)
Show SMILES CC(Oc1ccccc1)C1=NCCN1
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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309n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091340
PNG
(CHEMBL3582262)
Show SMILES CC(Cc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C17H19N3/c1-13(17-19-9-10-20-17)11-14-5-2-3-7-16(14)15-6-4-8-18-12-15/h2-8,12-13H,9-11H2,1H3,(H,19,20)
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PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091339
PNG
(CHEMBL3582263)
Show SMILES CC(Cc1ccccc1-c1cccc(O)c1)C1=NCCN1
Show InChI InChI=1S/C18H20N2O/c1-13(18-19-9-10-20-18)11-14-5-2-3-8-17(14)15-6-4-7-16(21)12-15/h2-8,12-13,21H,9-11H2,1H3,(H,19,20)
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091337
PNG
(CHEMBL3582265)
Show SMILES C[C@H](Cc1ccccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091343
PNG
(CHEMBL3582259)
Show SMILES C[C@H](Cc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C18H20N2/c1-14(18-19-11-12-20-18)13-16-9-5-6-10-17(16)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,20)/t14-/m1/s1
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2.24E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091346
PNG
(CHEMBL1907832)
Show SMILES C[C@H](Cc1ccccc1)C1=NCCN1
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-/m1/s1
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6.31E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair