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Compile Data Set for Download or QSAR

Found 366 hits with Last Name = 'ishizuka' and Initial = 'n'   
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))
BDBM50380851
PNG
(CHEMBL2018655)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C24H36N2O4/c1-24(2,23(29)30-3)25-21(27)19-15-18-13-9-4-5-10-14-20(18)26(22(19)28)16-17-11-7-6-8-12-17/h15,17H,4-14,16H2,1-3H3,(H,25,27)
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0.300n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380853
PNG
(CHEMBL2018657)
Show SMILES CN(CCO)C(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)28(3)15-16-30)27-23(31)21-17-20-13-9-4-5-10-14-22(20)29(24(21)32)18-19-11-7-6-8-12-19/h17,19,30H,4-16,18H2,1-3H3,(H,27,31)
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0.600n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380856
PNG
(CHEMBL2018660)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCOCCO
Show InChI InChI=1S/C27H43N3O5/c1-27(2,26(34)28-14-16-35-17-15-31)29-24(32)22-18-21-12-8-3-4-9-13-23(21)30(25(22)33)19-20-10-6-5-7-11-20/h18,20,31H,3-17,19H2,1-2H3,(H,28,34)(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12|
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
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0.640n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380854
PNG
(CHEMBL2018658)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCO
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31)
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1n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380861
PNG
(CHEMBL2018664)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C28H43N3O4/c1-28(2,27(35)30-16-14-22(32)15-17-30)29-25(33)23-18-21-12-8-3-4-9-13-24(21)31(26(23)34)19-20-10-6-5-7-11-20/h18,20,22,32H,3-17,19H2,1-2H3,(H,29,33)
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1.10n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380855
PNG
(CHEMBL2018659)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCCCO
Show InChI InChI=1S/C28H45N3O4/c1-28(2,27(35)29-17-11-6-12-18-32)30-25(33)23-19-22-15-9-3-4-10-16-24(22)31(26(23)34)20-21-13-7-5-8-14-21/h19,21,32H,3-18,20H2,1-2H3,(H,29,35)(H,30,33)
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1.20n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382747
PNG
(CHEMBL2023045)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h4,8-9,13-14,17,19,24H,1-3,5-7,10-12,15-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380851
PNG
(CHEMBL2018655)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C24H36N2O4/c1-24(2,23(29)30-3)25-21(27)19-15-18-13-9-4-5-10-14-20(18)26(22(19)28)16-17-11-7-6-8-12-17/h15,17H,4-14,16H2,1-3H3,(H,25,27)
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1.70n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380858
PNG
(CHEMBL2018662)
Show SMILES CC(=O)NCCNC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C27H42N4O4/c1-19(32)28-15-16-29-26(35)27(2,3)30-24(33)22-17-21-13-9-4-5-10-14-23(21)31(25(22)34)18-20-11-7-6-8-12-20/h17,20H,4-16,18H2,1-3H3,(H,28,32)(H,29,35)(H,30,33)
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2.5n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380864
PNG
(CHEMBL2018780)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NN
Show InChI InChI=1S/C23H36N4O3/c1-23(2,22(30)26-24)25-20(28)18-14-17-12-8-3-4-9-13-19(17)27(21(18)29)15-16-10-6-5-7-11-16/h14,16H,3-13,15,24H2,1-2H3,(H,25,28)(H,26,30)
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2.80n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380853
PNG
(CHEMBL2018657)
Show SMILES CN(CCO)C(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)28(3)15-16-30)27-23(31)21-17-20-13-9-4-5-10-14-22(20)29(24(21)32)18-19-11-7-6-8-12-19/h17,19,30H,4-16,18H2,1-3H3,(H,27,31)
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2.90n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380863
PNG
(CHEMBL2018666)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C29H44N4O4/c1-29(2,28(37)32-16-14-21(15-17-32)25(30)34)31-26(35)23-18-22-12-8-3-4-9-13-24(22)33(27(23)36)19-20-10-6-5-7-11-20/h18,20-21H,3-17,19H2,1-2H3,(H2,30,34)(H,31,35)
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3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382748
PNG
(CHEMBL2023046)
Show SMILES OC(=O)[C@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h4,8-9,13-14,17,19,24H,1-3,5-7,10-12,15-16,18H2,(H,28,30)(H,32,33)/t24-/m1/s1
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3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380856
PNG
(CHEMBL2018660)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCOCCO
Show InChI InChI=1S/C27H43N3O5/c1-27(2,26(34)28-14-16-35-17-15-31)29-24(32)22-18-21-12-8-3-4-9-13-23(21)30(25(22)33)19-20-10-6-5-7-11-20/h18,20,31H,3-17,19H2,1-2H3,(H,28,34)(H,29,32)
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3.40n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380849
PNG
(CHEMBL2018778)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C29H46N4O5S/c1-29(2,28(36)32-17-15-23(16-18-32)31-39(3,37)38)30-26(34)24-19-22-13-9-4-5-10-14-25(22)33(27(24)35)20-21-11-7-6-8-12-21/h19,21,23,31H,4-18,20H2,1-3H3,(H,30,34)
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4.40n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382744
PNG
(CHEMBL2023582)
Show SMILES OC(=O)Cc1cnc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)s1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-14-25-24(32-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)15-16-8-4-3-5-9-16/h12,14,16H,1-11,13,15H2,(H,28,29)(H,25,26,30)
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4.60n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380858
PNG
(CHEMBL2018662)
Show SMILES CC(=O)NCCNC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C27H42N4O4/c1-19(32)28-15-16-29-26(35)27(2,3)30-24(33)22-17-21-13-9-4-5-10-14-23(21)31(25(22)34)18-20-11-7-6-8-12-20/h17,20H,4-16,18H2,1-3H3,(H,28,32)(H,29,35)(H,30,33)
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4.70n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380863
PNG
(CHEMBL2018666)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C29H44N4O4/c1-29(2,28(37)32-16-14-21(15-17-32)25(30)34)31-26(35)23-18-22-12-8-3-4-9-13-24(22)33(27(23)36)19-20-10-6-5-7-11-20/h18,20-21H,3-17,19H2,1-2H3,(H2,30,34)(H,31,35)
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4.90n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380855
PNG
(CHEMBL2018659)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCCCO
Show InChI InChI=1S/C28H45N3O4/c1-28(2,27(35)29-17-11-6-12-18-32)30-25(33)23-19-22-15-9-3-4-10-16-24(22)31(26(23)34)20-21-13-7-5-8-14-21/h19,21,32H,3-18,20H2,1-2H3,(H,29,35)(H,30,33)
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5.80n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380860
PNG
(CHEMBL2016599)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C25H38N4O4/c1-25(2,24(33)27-15-21(26)30)28-22(31)19-14-18-12-8-3-4-9-13-20(18)29(23(19)32)16-17-10-6-5-7-11-17/h14,17H,3-13,15-16H2,1-2H3,(H2,26,30)(H,27,33)(H,28,31)
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6n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380894
PNG
(CHEMBL2019078)
Show SMILES OC(=O)C1(CCCCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C28H42N2O4/c31-25(29-28(27(33)34)17-11-4-1-5-12-18-28)23-19-22-15-9-2-3-10-16-24(22)30(26(23)32)20-21-13-7-6-8-14-21/h19,21H,1-18,20H2,(H,29,31)(H,33,34)
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6.20n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380854
PNG
(CHEMBL2018658)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCO
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31)
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6.30n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380896
PNG
(CHEMBL2019081)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C26H38N2O4/c29-23(27-26(25(31)32)15-9-4-10-16-26)21-17-20-13-7-1-2-8-14-22(20)28(24(21)30)18-19-11-5-3-6-12-19/h17,19H,1-16,18H2,(H,27,29)(H,31,32)
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6.70n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380865
PNG
(CHEMBL2018781)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NNS(C)(=O)=O
Show InChI InChI=1S/C24H38N4O5S/c1-24(2,23(31)26-27-34(3,32)33)25-21(29)19-15-18-13-9-4-5-10-14-20(18)28(22(19)30)16-17-11-7-6-8-12-17/h15,17,27H,4-14,16H2,1-3H3,(H,25,29)(H,26,31)
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7.30n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380861
PNG
(CHEMBL2018664)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C28H43N3O4/c1-28(2,27(35)30-16-14-22(32)15-17-30)29-25(33)23-18-21-12-8-3-4-9-13-24(21)31(26(23)34)19-20-10-6-5-7-11-20/h18,20,22,32H,3-17,19H2,1-2H3,(H,29,33)
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8n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380860
PNG
(CHEMBL2016599)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C25H38N4O4/c1-25(2,24(33)27-15-21(26)30)28-22(31)19-14-18-12-8-3-4-9-13-20(18)29(23(19)32)16-17-10-6-5-7-11-17/h14,17H,3-13,15-16H2,1-2H3,(H2,26,30)(H,27,33)(H,28,31)
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11n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380889
PNG
(CHEMBL2019086)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C26H31FN2O4/c27-20-12-10-18(11-13-20)17-29-22-9-5-2-1-4-8-19(22)16-21(24(29)31)23(30)28-26(25(32)33)14-6-3-7-15-26/h10-13,16H,1-9,14-15,17H2,(H,28,30)(H,32,33)
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16n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382745
PNG
(CHEMBL2023583)
Show SMILES OC(=O)CCc1csc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)n1
Show InChI InChI=1S/C25H33N3O4S/c29-22(30)13-12-19-16-33-25(26-19)27-23(31)20-14-18-10-6-1-2-7-11-21(18)28(24(20)32)15-17-8-4-3-5-9-17/h14,16-17H,1-13,15H2,(H,29,30)(H,26,27,31)
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18n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382743
PNG
(CHEMBL2023581)
Show SMILES OC(=O)Cc1csc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)n1
Show InChI InChI=1S/C24H31N3O4S/c28-21(29)13-18-15-32-24(25-18)26-22(30)19-12-17-10-6-1-2-7-11-20(17)27(23(19)31)14-16-8-4-3-5-9-16/h12,15-16H,1-11,13-14H2,(H,28,29)(H,25,26,30)
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22n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380864
PNG
(CHEMBL2018780)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NN
Show InChI InChI=1S/C23H36N4O3/c1-23(2,22(30)26-24)25-20(28)18-14-17-12-8-3-4-9-13-19(17)27(21(18)29)15-16-10-6-5-7-11-16/h14,16H,3-13,15,24H2,1-2H3,(H,25,28)(H,26,30)
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30n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380865
PNG
(CHEMBL2018781)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NNS(C)(=O)=O
Show InChI InChI=1S/C24H38N4O5S/c1-24(2,23(31)26-27-34(3,32)33)25-21(29)19-15-18-13-9-4-5-10-14-20(18)28(22(19)30)16-17-11-7-6-8-12-17/h15,17,27H,4-14,16H2,1-3H3,(H,25,29)(H,26,31)
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32n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382751
PNG
(CHEMBL2023047)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O |r|
Show InChI InChI=1S/C28H36N2O4/c31-26(29-24(28(33)34)17-20-11-5-3-6-12-20)23-18-22-15-9-1-2-10-16-25(22)30(27(23)32)19-21-13-7-4-8-14-21/h3,5-6,11-12,18,21,24H,1-2,4,7-10,13-17,19H2,(H,29,31)(H,33,34)/t24-/m0/s1
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33n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50382747
PNG
(CHEMBL2023045)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h4,8-9,13-14,17,19,24H,1-3,5-7,10-12,15-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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34n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380892
PNG
(CHEMBL2019090 | S-777469)
Show SMILES CCc1c(C)cc(C(=O)NC2(CCCCC2)C(O)=O)c(=O)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)
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36n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380849
PNG
(CHEMBL2018778)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C29H46N4O5S/c1-29(2,28(36)32-17-15-23(16-18-32)31-39(3,37)38)30-26(34)24-19-22-13-9-4-5-10-14-25(22)33(27(24)35)20-21-11-7-6-8-12-21/h19,21,23,31H,4-18,20H2,1-3H3,(H,30,34)
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39n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382749
PNG
(CHEMBL2023575)
Show SMILES OC(=O)Cc1ccccc1NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C27H34N2O4/c30-25(31)17-20-12-8-9-14-23(20)28-26(32)22-16-21-13-6-1-2-7-15-24(21)29(27(22)33)18-19-10-4-3-5-11-19/h8-9,12,14,16,19H,1-7,10-11,13,15,17-18H2,(H,28,32)(H,30,31)
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46n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380900
PNG
(CHEMBL2019080)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)
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56n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380887
PNG
(CHEMBL2019083)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
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56n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50382748
PNG
(CHEMBL2023046)
Show SMILES OC(=O)[C@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h4,8-9,13-14,17,19,24H,1-3,5-7,10-12,15-16,18H2,(H,28,30)(H,32,33)/t24-/m1/s1
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69n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382742
PNG
(CHEMBL2023577)
Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-19-12-14-22(15-13-19)28-26(32)23-17-21-10-6-1-2-7-11-24(21)29(27(23)33)18-20-8-4-3-5-9-20/h12-15,17,20H,1-11,16,18H2,(H,28,32)(H,30,31)
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74n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380857
PNG
(CHEMBL2018661)
Show SMILES CN(C)CCNC(=O)C(C)(C)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C27H44N4O3/c1-27(2,26(34)28-16-17-30(3)4)29-24(32)22-18-21-14-10-5-6-11-15-23(21)31(25(22)33)19-20-12-8-7-9-13-20/h18,20H,5-17,19H2,1-4H3,(H,28,34)(H,29,32)
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81n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382740
PNG
(CHEMBL2023574)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H32N2O4/c29-24(27-21-14-12-19(13-15-21)26(31)32)22-16-20-10-6-1-2-7-11-23(20)28(25(22)30)17-18-8-4-3-5-9-18/h12-16,18H,1-11,17H2,(H,27,29)(H,31,32)
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107n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380886
PNG
(CHEMBL2019082)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C27H40N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h17,19-20,24H,1-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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111n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380886
PNG
(CHEMBL2019082)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C27H40N2O4/c30-25(28-24(27(32)33)20-13-8-4-9-14-20)22-17-21-15-7-1-2-10-16-23(21)29(26(22)31)18-19-11-5-3-6-12-19/h17,19-20,24H,1-16,18H2,(H,28,30)(H,32,33)/t24-/m0/s1
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111n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382746
PNG
(CHEMBL2023044)
Show SMILES CC(C)[C@H](NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H36N2O4/c1-16(2)21(24(29)30)25-22(27)19-14-18-12-8-3-4-9-13-20(18)26(23(19)28)15-17-10-6-5-7-11-17/h14,16-17,21H,3-13,15H2,1-2H3,(H,25,27)(H,29,30)/t21-/m0/s1
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116n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382741
PNG
(CHEMBL2023576)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)c1
Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-20-11-8-13-22(15-20)28-26(32)23-17-21-12-6-1-2-7-14-24(21)29(27(23)33)18-19-9-4-3-5-10-19/h8,11,13,15,17,19H,1-7,9-10,12,14,16,18H2,(H,28,32)(H,30,31)
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120n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380850
PNG
(CHEMBL2018779)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(CC1)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C30H46N4O6S/c1-30(2,29(38)33-17-15-22(16-18-33)26(35)32-41(3,39)40)31-27(36)24-19-23-13-9-4-5-10-14-25(23)34(28(24)37)20-21-11-7-6-8-12-21/h19,21-22H,4-18,20H2,1-3H3,(H,31,36)(H,32,35)
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128n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380890
PNG
(CHEMBL2019087)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C27H31N3O4/c28-17-19-10-12-20(13-11-19)18-30-23-9-5-2-1-4-8-21(23)16-22(25(30)32)24(31)29-27(26(33)34)14-6-3-7-15-27/h10-13,16H,1-9,14-15,18H2,(H,29,31)(H,33,34)
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144n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380895
PNG
(CHEMBL2019079)
Show SMILES OC(=O)CNC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C21H30N2O4/c24-19(25)13-22-20(26)17-12-16-10-6-1-2-7-11-18(16)23(21(17)27)14-15-8-4-3-5-9-15/h12,15H,1-11,13-14H2,(H,22,26)(H,24,25)
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177n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
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