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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'milanesi' and Initial = 'l'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354137
PNG
(CHEMBL1836187)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c25-18-22(30(28,29)21-9-3-1-4-10-21)17-20-19-27(24-12-6-5-11-23(20)24)16-15-26-13-7-2-8-14-26/h1,3-6,9-12,17,19H,2,7-8,13-16H2/b22-17+
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PubMed
7.5n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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10.2n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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62n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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1.39E+3n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354137
PNG
(CHEMBL1836187)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c25-18-22(30(28,29)21-9-3-1-4-10-21)17-20-19-27(24-12-6-5-11-23(20)24)16-15-26-13-7-2-8-14-26/h1,3-6,9-12,17,19H,2,7-8,13-16H2/b22-17+
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1.63E+5n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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n/an/a 40.1n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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n/an/a 155n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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n/an/a 5.48E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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n/an/a 6.22E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM59172
PNG
(BN2)
Show SMILES O=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O4S2/c29-33(30,25-16-5-10-19-8-1-3-14-23(19)25)27-21-12-7-13-22(18-21)28-34(31,32)26-17-6-11-20-9-2-4-15-24(20)26/h1-18,27-28H
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n/an/an/a 10n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM59171
PNG
(BN1)
Show SMILES O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O4S2/c29-33(30,25-13-5-9-19-7-1-3-11-23(19)25)27-21-15-17-22(18-16-21)28-34(31,32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H
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n/an/an/a 70n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM59170
PNG
(BT2)
Show SMILES COC(=O)[C@@H](CC(=O)Cc1ccc(\C=C\c2ccc(CC(=O)C[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2)cc1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C44H42N2O6/c1-51-43(49)33(23-35-27-45-41-9-5-3-7-39(35)41)25-37(47)21-31-17-13-29(14-18-31)11-12-30-15-19-32(20-16-30)22-38(48)26-34(44(50)52-2)24-36-28-46-42-10-6-4-8-40(36)42/h3-20,27-28,33-34,45-46H,21-26H2,1-2H3/b12-11+/t33-,34-/m1/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair
Calmodulin-1


(Human)
BDBM59169
PNG
(BT1)
Show SMILES COC(=O)[C@@H](CC(=O)c1cccc(c1)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H32N2O6/c1-41-33(39)23(15-25-19-35-29-12-5-3-10-27(25)29)17-31(37)21-8-7-9-22(14-21)32(38)18-24(34(40)42-2)16-26-20-36-30-13-6-4-11-28(26)30/h3-14,19-20,23-24,35-36H,15-18H2,1-2H3/t23-,24-/m1/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)


Article DOI: 10.1016/j.chembiol.2004.11.007
BindingDB Entry DOI: 10.7270/Q22B8WGR
More data for this
Ligand-Target Pair