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PubMed code 16279794

Compile data set for download or QSAR
Found 46 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176951
PNG
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid cycl...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28)
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5.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176951
PNG
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid cycl...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176954
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid cyclo...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC1CC1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(28)21-25(22)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067498
PNG
((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1
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150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176970
PNG
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid (2-h...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1
Show InChI InChI=1S/C24H41NO4/c1-2-3-10-13-21-18-22(27)20-23(19-21)29-17-12-9-7-5-4-6-8-11-14-24(28)25-15-16-26/h18-20,26-27H,2-17H2,1H3,(H,25,28)
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176946
PNG
(6-(3-hydroxy-4-hexylphenoxy)hexanoic acid cyclopro...)
Show SMILES CCCCCCc1ccc(OCCCCCC(=O)NC2CC2)cc1O
Show InChI InChI=1S/C21H33NO3/c1-2-3-4-6-9-17-11-14-19(16-20(17)23)25-15-8-5-7-10-21(24)22-18-12-13-18/h11,14,16,18,23H,2-10,12-13,15H2,1H3,(H,22,24)
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180n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176954
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid cyclo...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC1CC1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(28)21-25(22)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
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210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176952
PNG
(11-(3-hydroxy-4-hexylphenoxy)undecanoic acid cyclo...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(21-25(22)28)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
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350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176947
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid (2-hy...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C25H43NO4/c1-2-3-4-11-14-22-16-17-23(28)21-24(22)30-20-13-10-8-6-5-7-9-12-15-25(29)26-18-19-27/h16-17,21,27-28H,2-15,18-20H2,1H3,(H,26,29)
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420n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176946
PNG
(6-(3-hydroxy-4-hexylphenoxy)hexanoic acid cyclopro...)
Show SMILES CCCCCCc1ccc(OCCCCCC(=O)NC2CC2)cc1O
Show InChI InChI=1S/C21H33NO3/c1-2-3-4-6-9-17-11-14-19(16-20(17)23)25-15-8-5-7-10-21(24)22-18-12-13-18/h11,14,16,18,23H,2-10,12-13,15H2,1H3,(H,22,24)
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540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176970
PNG
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid (2-h...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1
Show InChI InChI=1S/C24H41NO4/c1-2-3-10-13-21-18-22(27)20-23(19-21)29-17-12-9-7-5-4-6-8-11-14-24(28)25-15-16-26/h18-20,26-27H,2-17H2,1H3,(H,25,28)
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176948
PNG
(6-(3-hydroxy-5-pentylphenoxy)hexanoic acid cyclopr...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO3/c1-2-3-5-8-16-13-18(22)15-19(14-16)24-12-7-4-6-9-20(23)21-17-10-11-17/h13-15,17,22H,2-12H2,1H3,(H,21,23)
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960n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176947
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid (2-hy...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C25H43NO4/c1-2-3-4-11-14-22-16-17-23(28)21-24(22)30-20-13-10-8-6-5-7-9-12-15-25(29)26-18-19-27/h16-17,21,27-28H,2-15,18-20H2,1H3,(H,26,29)
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1.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176948
PNG
(6-(3-hydroxy-5-pentylphenoxy)hexanoic acid cyclopr...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO3/c1-2-3-5-8-16-13-18(22)15-19(14-16)24-12-7-4-6-9-20(23)21-17-10-11-17/h13-15,17,22H,2-12H2,1H3,(H,21,23)
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176967
PNG
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid (4-h...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1
Show InChI InChI=1S/C28H41NO4/c1-2-3-10-13-23-20-26(31)22-27(21-23)33-19-12-9-7-5-4-6-8-11-14-28(32)29-24-15-17-25(30)18-16-24/h15-18,20-22,30-31H,2-14,19H2,1H3,(H,29,32)
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1.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176961
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid (4-hy...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C29H43NO4/c1-2-3-4-11-14-24-16-19-27(32)23-28(24)34-22-13-10-8-6-5-7-9-12-15-29(33)30-25-17-20-26(31)21-18-25/h16-21,23,31-32H,2-15,22H2,1H3,(H,30,33)
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2.11E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176968
PNG
(16-(2-hexyl-5-hydroxyphenoxy)hexadecanoic acid cyc...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)NC1CC1
Show InChI InChI=1S/C31H53NO3/c1-2-3-4-16-19-27-21-24-29(33)26-30(27)35-25-18-15-13-11-9-7-5-6-8-10-12-14-17-20-31(34)32-28-22-23-28/h21,24,26,28,33H,2-20,22-23,25H2,1H3,(H,32,34)
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2.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176969
PNG
(11-(3-hydroxy-4-hexylphenoxy)undecanoic acid (2-hy...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCO)cc1O
Show InChI InChI=1S/C25H43NO4/c1-2-3-4-11-14-22-16-17-23(21-24(22)28)30-20-13-10-8-6-5-7-9-12-15-25(29)26-18-19-27/h16-17,21,27-28H,2-15,18-20H2,1H3,(H,26,29)
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2.70E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176967
PNG
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid (4-h...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1
Show InChI InChI=1S/C28H41NO4/c1-2-3-10-13-23-20-26(31)22-27(21-23)33-19-12-9-7-5-4-6-8-11-14-28(32)29-24-15-17-25(30)18-16-24/h15-18,20-22,30-31H,2-14,19H2,1H3,(H,29,32)
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176959
PNG
(16-(2-hexyl-5-hydroxyphenoxy)hexadecanoic acid (4-...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C34H53NO4/c1-2-3-4-16-19-29-21-24-32(37)28-33(29)39-27-18-15-13-11-9-7-5-6-8-10-12-14-17-20-34(38)35-30-22-25-31(36)26-23-30/h21-26,28,36-37H,2-20,27H2,1H3,(H,35,38)
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176961
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid (4-hy...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C29H43NO4/c1-2-3-4-11-14-24-16-19-27(32)23-28(24)34-22-13-10-8-6-5-7-9-12-15-29(33)30-25-17-20-26(31)21-18-25/h16-21,23,31-32H,2-15,22H2,1H3,(H,30,33)
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3.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176964
PNG
(6-(2-hexyl-5-hydroxyphenoxy)hexanoic acid cyclopro...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCC(=O)NC1CC1
Show InChI InChI=1S/C21H33NO3/c1-2-3-4-6-9-17-11-14-19(23)16-20(17)25-15-8-5-7-10-21(24)22-18-12-13-18/h11,14,16,18,23H,2-10,12-13,15H2,1H3,(H,22,24)
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3.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176950
PNG
(16-(3-hydroxyphenoxy)hexadecanoic acid cyclopropyl...)
Show SMILES Oc1cccc(OCCCCCCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C25H41NO3/c27-23-15-14-16-24(21-23)29-20-13-11-9-7-5-3-1-2-4-6-8-10-12-17-25(28)26-22-18-19-22/h14-16,21-22,27H,1-13,17-20H2,(H,26,28)
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4.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176965
PNG
(16-(3-hydroxyphenoxy)hexadecanoic acid (4-hydroxyp...)
Show SMILES Oc1ccc(NC(=O)CCCCCCCCCCCCCCCOc2cccc(O)c2)cc1
Show InChI InChI=1S/C28H41NO4/c30-25-20-18-24(19-21-25)29-28(32)17-12-10-8-6-4-2-1-3-5-7-9-11-13-22-33-27-16-14-15-26(31)23-27/h14-16,18-21,23,30-31H,1-13,17,22H2,(H,29,32)
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5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176949
PNG
(11-(3-hydroxyphenoxy)undecanoic acid cyclopropilam...)
Show SMILES Oc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO3/c22-18-10-9-11-19(16-18)24-15-8-6-4-2-1-3-5-7-12-20(23)21-17-13-14-17/h9-11,16-17,22H,1-8,12-15H2,(H,21,23)
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5.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176968
PNG
(16-(2-hexyl-5-hydroxyphenoxy)hexadecanoic acid cyc...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)NC1CC1
Show InChI InChI=1S/C31H53NO3/c1-2-3-4-16-19-27-21-24-29(33)26-30(27)35-25-18-15-13-11-9-7-5-6-8-10-12-14-17-20-31(34)32-28-22-23-28/h21,24,26,28,33H,2-20,22-23,25H2,1H3,(H,32,34)
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5.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176953
PNG
(6-(3-hydroxy-4-hexylphenoxy)hexanoic acid (2-hydro...)
Show SMILES CCCCCCc1ccc(OCCCCCC(=O)NCCO)cc1O
Show InChI InChI=1S/C20H33NO4/c1-2-3-4-6-9-17-11-12-18(16-19(17)23)25-15-8-5-7-10-20(24)21-13-14-22/h11-12,16,22-23H,2-10,13-15H2,1H3,(H,21,24)
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6.43E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176955
PNG
(16-(3-hydroxy-5-pentylphenoxy)hexadecanoic acid cy...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C30H51NO3/c1-2-3-15-18-26-23-28(32)25-29(24-26)34-22-17-14-12-10-8-6-4-5-7-9-11-13-16-19-30(33)31-27-20-21-27/h23-25,27,32H,2-22H2,1H3,(H,31,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176974
PNG
(6-(2-hexyl-5-hydroxyphenoxy)hexanoic acid (2-hydro...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H33NO4/c1-2-3-4-6-9-17-11-12-18(23)16-19(17)25-15-8-5-7-10-20(24)21-13-14-22/h11-12,16,22-23H,2-10,13-15H2,1H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176972
PNG
(11-(3-hydroxyphenoxy)undecanoic acid (4-hydroxyphe...)
Show SMILES Oc1ccc(NC(=O)CCCCCCCCCCOc2cccc(O)c2)cc1
Show InChI InChI=1S/C23H31NO4/c25-20-15-13-19(14-16-20)24-23(27)12-7-5-3-1-2-4-6-8-17-28-22-11-9-10-21(26)18-22/h9-11,13-16,18,25-26H,1-8,12,17H2,(H,24,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176958
PNG
(11-(3-hydroxy-4-hexylphenoxy)undecanoic acid (4-hy...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)cc1O
Show InChI InChI=1S/C29H43NO4/c1-2-3-4-11-14-24-16-21-27(23-28(24)32)34-22-13-10-8-6-5-7-9-12-15-29(33)30-25-17-19-26(31)20-18-25/h16-21,23,31-32H,2-15,22H2,1H3,(H,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176962
PNG
(16-(3-hydroxy-5-pentylphenoxy)hexadecanoic acid (4...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1
Show InChI InChI=1S/C33H51NO4/c1-2-3-15-18-28-25-31(36)27-32(26-28)38-24-17-14-12-10-8-6-4-5-7-9-11-13-16-19-33(37)34-29-20-22-30(35)23-21-29/h20-23,25-27,35-36H,2-19,24H2,1H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176971
PNG
(16-(3-hydroxyphenoxy)hexadecanoic acid (2-hydroxye...)
Show SMILES OCCNC(=O)CCCCCCCCCCCCCCCOc1cccc(O)c1
Show InChI InChI=1S/C24H41NO4/c26-19-18-25-24(28)17-12-10-8-6-4-2-1-3-5-7-9-11-13-20-29-23-16-14-15-22(27)21-23/h14-16,21,26-27H,1-13,17-20H2,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176969
PNG
(11-(3-hydroxy-4-hexylphenoxy)undecanoic acid (2-hy...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCO)cc1O
Show InChI InChI=1S/C25H43NO4/c1-2-3-4-11-14-22-16-17-23(21-24(22)28)30-20-13-10-8-6-5-7-9-12-15-25(29)26-18-19-27/h16-17,21,27-28H,2-15,18-20H2,1H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176965
PNG
(16-(3-hydroxyphenoxy)hexadecanoic acid (4-hydroxyp...)
Show SMILES Oc1ccc(NC(=O)CCCCCCCCCCCCCCCOc2cccc(O)c2)cc1
Show InChI InChI=1S/C28H41NO4/c30-25-20-18-24(19-21-25)29-28(32)17-12-10-8-6-4-2-1-3-5-7-9-11-13-22-33-27-16-14-15-26(31)23-27/h14-16,18-21,23,30-31H,1-13,17,22H2,(H,29,32)
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176960
PNG
(11-(3-hydroxyphenoxy)undecanoic acid (2-hydroxyeth...)
Show SMILES OCCNC(=O)CCCCCCCCCCOc1cccc(O)c1
Show InChI InChI=1S/C19H31NO4/c21-14-13-20-19(23)12-7-5-3-1-2-4-6-8-15-24-18-11-9-10-17(22)16-18/h9-11,16,21-22H,1-8,12-15H2,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176952
PNG
(11-(3-hydroxy-4-hexylphenoxy)undecanoic acid cyclo...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(21-25(22)28)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176966
PNG
(16-(3-hydroxy-4-hexylphenoxy)hexadecanoic acid (4-...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCCCCCCC(=O)Nc2ccc(O)cc2)cc1O
Show InChI InChI=1S/C34H53NO4/c1-2-3-4-16-19-29-21-26-32(28-33(29)37)39-27-18-15-13-11-9-7-5-6-8-10-12-14-17-20-34(38)35-30-22-24-31(36)25-23-30/h21-26,28,36-37H,2-20,27H2,1H3,(H,35,38)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176949
PNG
(11-(3-hydroxyphenoxy)undecanoic acid cyclopropilam...)
Show SMILES Oc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO3/c22-18-10-9-11-19(16-18)24-15-8-6-4-2-1-3-5-7-12-20(23)21-17-13-14-17/h9-11,16-17,22H,1-8,12-15H2,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176957
PNG
(16-(3-hydroxy-5-pentylphenoxy)hexadecanoic acid (2...)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NCCO)c1
Show InChI InChI=1S/C29H51NO4/c1-2-3-15-18-26-23-27(32)25-28(24-26)34-22-17-14-12-10-8-6-4-5-7-9-11-13-16-19-29(33)30-20-21-31/h23-25,31-32H,2-22H2,1H3,(H,30,33)
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1.25E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50176961
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid (4-hy...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C29H43NO4/c1-2-3-4-11-14-24-16-19-27(32)23-28(24)34-22-13-10-8-6-5-7-9-12-15-29(33)30-25-17-20-26(31)21-18-25/h16-21,23,31-32H,2-15,22H2,1H3,(H,30,33)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as [14C]anandamide hydrolysis


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50176954
PNG
(11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid cyclo...)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC1CC1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(28)21-25(22)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as [14C]anandamide hydrolysis


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50176958
PNG
(11-(3-hydroxy-4-hexylphenoxy)undecanoic acid (4-hy...)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)cc1O
Show InChI InChI=1S/C29H43NO4/c1-2-3-4-11-14-24-16-21-27(23-28(24)32)34-22-13-10-8-6-5-7-9-12-15-29(33)30-25-17-19-26(31)20-18-25/h16-21,23,31-32H,2-15,22H2,1H3,(H,30,33)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as [14C]anandamide hydrolysis


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%