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PubMed code 17827022

Compile data set for download or QSAR
Found 16 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))
BDBM50221714
PNG
(11-[3-(5-azido-1,1-dimethylpentyl)phenoxy]undeca-5...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCN=[N+]=[N-]
Show InChI InChI=1S/C27H42N4O3/c1-23(22-32)30-26(33)17-10-8-6-4-5-7-9-13-20-34-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29-31-28/h4,6-7,9,14-16,21,23,32H,5,8,10-13,17-20,22H2,1-3H3,(H,30,33)/b6-4-,9-7-/t23-/m1/s1
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2.52n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221714
PNG
(11-[3-(5-azido-1,1-dimethylpentyl)phenoxy]undeca-5...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCN=[N+]=[N-]
Show InChI InChI=1S/C27H42N4O3/c1-23(22-32)30-26(33)17-10-8-6-4-5-7-9-13-20-34-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29-31-28/h4,6-7,9,14-16,21,23,32H,5,8,10-13,17-20,22H2,1-3H3,(H,30,33)/b6-4-,9-7-/t23-/m1/s1
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2.74n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50221715
PNG
(11-[3-(5-cyano-1,1-dimethylpentyl)phenoxy]-undeca-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCC#N
Show InChI InChI=1S/C27H40N2O3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-18,20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1
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3.13n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221715
PNG
(11-[3-(5-cyano-1,1-dimethylpentyl)phenoxy]-undeca-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCC#N
Show InChI InChI=1S/C27H40N2O3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-18,20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1
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5.51n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50221711
PNG
(11-[3-(5-bromo-1,1-dimethylpentyl)phenoxy]-undeca-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCBr
Show InChI InChI=1S/C27H42BrNO3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1
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7.46n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221710
PNG
(11-[3-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)
Show SMILES CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1
Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-21-29(3,4)26-18-17-19-27(23-26)33-22-16-13-11-9-8-10-12-14-20-28(32)30-25(2)24-31/h8,10-11,13,17-19,23,25,31H,5-7,9,12,14-16,20-22,24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
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8.55n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221711
PNG
(11-[3-(5-bromo-1,1-dimethylpentyl)phenoxy]-undeca-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCBr
Show InChI InChI=1S/C27H42BrNO3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1
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8.87n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50221713
PNG
(11-[3-(5-hydroxy-1,1-dimethylpentyl)phenoxy]-undec...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCO
Show InChI InChI=1S/C27H43NO4/c1-23(22-30)28-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29/h4,6-7,9,14-16,21,23,29-30H,5,8,10-13,17-20,22H2,1-3H3,(H,28,31)/b6-4-,9-7-/t23-/m1/s1
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10.9n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50221710
PNG
(11-[3-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)
Show SMILES CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1
Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-21-29(3,4)26-18-17-19-27(23-26)33-22-16-13-11-9-8-10-12-14-20-28(32)30-25(2)24-31/h8,10-11,13,17-19,23,25,31H,5-7,9,12,14-16,20-22,24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
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21.5n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50221708
PNG
(11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)
Show SMILES CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1
Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-22-29(3,4)26-18-20-27(21-19-26)33-23-16-13-11-9-8-10-12-14-17-28(32)30-25(2)24-31/h8,10-11,13,18-21,25,31H,5-7,9,12,14-17,22-24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
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78.2n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221713
PNG
(11-[3-(5-hydroxy-1,1-dimethylpentyl)phenoxy]-undec...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCO
Show InChI InChI=1S/C27H43NO4/c1-23(22-30)28-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29/h4,6-7,9,14-16,21,23,29-30H,5,8,10-13,17-20,22H2,1-3H3,(H,28,31)/b6-4-,9-7-/t23-/m1/s1
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79.0n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221712
PNG
(12-[2-(1,1-dimethylheptyl)phenyl]dodeca-5,8,11-tri...)
Show SMILES CCCCCCC(C)(C)c1ccccc1\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO
Show InChI InChI=1S/C30H47NO2/c1-5-6-7-19-24-30(3,4)28-22-18-17-21-27(28)20-15-13-11-9-8-10-12-14-16-23-29(33)31-26(2)25-32/h9-12,15,17-18,20-22,26,32H,5-8,13-14,16,19,23-25H2,1-4H3,(H,31,33)/b11-9-,12-10-,20-15-/t26-/m1/s1
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86.3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221709
PNG
((5Z,8Z,11Z)-N-((R)-1-hydroxypropan-2-yl)-14-(3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1
Show InChI InChI=1S/C32H51NO3/c1-5-6-7-18-24-32(3,4)29-21-20-22-30(26-29)36-25-19-16-14-12-10-8-9-11-13-15-17-23-31(35)33-28(2)27-34/h8,10-11,13-14,16,20-22,26,28,34H,5-7,9,12,15,17-19,23-25,27H2,1-4H3,(H,33,35)/b10-8-,13-11-,16-14-/t28-/m1/s1
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131n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50221709
PNG
((5Z,8Z,11Z)-N-((R)-1-hydroxypropan-2-yl)-14-(3-(2-...)
Show SMILES CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1
Show InChI InChI=1S/C32H51NO3/c1-5-6-7-18-24-32(3,4)29-21-20-22-30(26-29)36-25-19-16-14-12-10-8-9-11-13-15-17-23-31(35)33-28(2)27-34/h8,10-11,13-14,16,20-22,26,28,34H,5-7,9,12,15,17-19,23-25,27H2,1-4H3,(H,33,35)/b10-8-,13-11-,16-14-/t28-/m1/s1
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189n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50221708
PNG
(11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)
Show SMILES CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1
Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-22-29(3,4)26-18-20-27(21-19-26)33-23-16-13-11-9-8-10-12-14-17-28(32)30-25(2)24-31/h8,10-11,13,18-21,25,31H,5-7,9,12,14-17,22-24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1
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195n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50221712
PNG
(12-[2-(1,1-dimethylheptyl)phenyl]dodeca-5,8,11-tri...)
Show SMILES CCCCCCC(C)(C)c1ccccc1\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO
Show InChI InChI=1S/C30H47NO2/c1-5-6-7-19-24-30(3,4)28-22-18-17-21-27(28)20-15-13-11-9-8-10-12-14-16-23-29(33)31-26(2)25-32/h9-12,15,17-18,20-22,26,32H,5-8,13-14,16,19,23-25H2,1-4H3,(H,31,33)/b11-9-,12-10-,20-15-/t26-/m1/s1
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257n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7850-64 (2007)


Article DOI: 10.1016/j.bmc.2007.08.039
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%