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Compile Data Set for Download or QSAR

Found 774 hits with Last Name = 'yasui' and Initial = 'k'   
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))
BDBM50491838
PNG
(CHEMBL2387185)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC(C)(C)c2ccccc2)c1=O
Show InChI InChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
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0.100n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491839
PNG
(CHEMBL2387183)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2CCCCC2)c1=O
Show InChI InChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25)
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0.200n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
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
PGD2


(Homo sapiens (Human))
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
PGD2


(GUINEA PIG)
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
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
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))
BDBM50491833
PNG
(CHEMBL2387178)
Show SMILES CC(C)CCn1c2CCCCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-18(2)14-15-26-22-13-9-4-3-8-12-20(22)16-21(24(26)28)23(27)25-17-19-10-6-5-7-11-19/h5-7,10-11,16,18H,3-4,8-9,12-15,17H2,1-2H3,(H,25,27)
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0.900n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

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 1


(Homo sapiens (Human))
BDBM50491838
PNG
(CHEMBL2387185)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC(C)(C)c2ccccc2)c1=O
Show InChI InChI=1S/C25H34N2O2/c1-4-5-17-27-22-16-12-7-6-9-13-19(22)18-21(24(27)29)23(28)26-25(2,3)20-14-10-8-11-15-20/h8,10-11,14-15,18H,4-7,9,12-13,16-17H2,1-3H3,(H,26,28)
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1n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

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
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 2


(Homo sapiens (Human))
BDBM50491842
PNG
(CHEMBL2387078)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C23H30N2O2/c1-2-3-15-25-21-14-10-5-4-9-13-19(21)16-20(23(25)27)22(26)24-17-18-11-7-6-8-12-18/h6-8,11-12,16H,2-5,9-10,13-15,17H2,1H3,(H,24,26)
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1.5n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
PGD2


(Homo sapiens (Human))
BDBM50060462
PNG
((Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491840
PNG
(CHEMBL2387186)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h6-8,11-12,18H,2-5,9-10,13-17H2,1H3,(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

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
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))
BDBM50491831
PNG
(CHEMBL2387182)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC(C)C)c1=O
Show InChI InChI=1S/C19H30N2O2/c1-4-5-12-21-17-11-9-7-6-8-10-15(17)13-16(19(21)23)18(22)20-14(2)3/h13-14H,4-12H2,1-3H3,(H,20,22)
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4n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

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 2


(Homo sapiens (Human))
BDBM50491841
PNG
(CHEMBL2387179)
Show SMILES COCCn1c2CCCCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C22H28N2O3/c1-27-14-13-24-20-12-8-3-2-7-11-18(20)15-19(22(24)26)21(25)23-16-17-9-5-4-6-10-17/h4-6,9-10,15H,2-3,7-8,11-14,16H2,1H3,(H,23,25)
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8n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

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))
BDBM50491833
PNG
(CHEMBL2387178)
Show SMILES CC(C)CCn1c2CCCCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-18(2)14-15-26-22-13-9-4-3-8-12-20(22)16-21(24(26)28)23(27)25-17-19-10-6-5-7-11-19/h5-7,10-11,16,18H,3-4,8-9,12-15,17H2,1-2H3,(H,25,27)
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9n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

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 1


(Mus musculus (Mouse))
BDBM50491839
PNG
(CHEMBL2387183)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2CCCCC2)c1=O
Show InChI InChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25)
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12n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from mouse brain CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50431426
PNG
(CHEMBL2348280)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O
Show InChI InChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23-21(25)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
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12n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50431424
PNG
(CHEMBL2348277)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2C)c1=O
Show InChI InChI=1S/C19H24N2O2/c1-5-6-11-21-15(4)14(3)12-17(19(21)23)20-18(22)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3,(H,20,22)
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14n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491835
PNG
(CHEMBL2387075)
Show SMILES CCCCn1c2CCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C20H24N2O2/c1-2-3-12-22-18-11-7-10-16(18)13-17(20(22)24)19(23)21-14-15-8-5-4-6-9-15/h4-6,8-9,13H,2-3,7,10-12,14H2,1H3,(H,21,23)
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16n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50431429
PNG
(CHEMBL2348276)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2Cl)c1=O
Show InChI InChI=1S/C18H21ClN2O2/c1-4-5-10-21-13(3)12(2)11-16(18(21)23)20-17(22)14-8-6-7-9-15(14)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)
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16n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
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))
BDBM50491845
PNG
(CHEMBL2387076)
Show SMILES CCCCn1c2CCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H26N2O2/c1-2-3-13-23-19-12-8-7-11-17(19)14-18(21(23)25)20(24)22-15-16-9-5-4-6-10-16/h4-6,9-10,14H,2-3,7-8,11-13,15H2,1H3,(H,22,24)
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17n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

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 1


(Homo sapiens (Human))
BDBM50491839
PNG
(CHEMBL2387183)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2CCCCC2)c1=O
Show InChI InChI=1S/C22H34N2O2/c1-2-3-15-24-20-14-10-5-4-7-11-17(20)16-19(22(24)26)21(25)23-18-12-8-6-9-13-18/h16,18H,2-15H2,1H3,(H,23,25)
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19n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50431426
PNG
(CHEMBL2348280)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O
Show InChI InChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23-21(25)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
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19n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491843
PNG
(CHEMBL2387074)
Show SMILES CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C20H26N2O2/c1-4-6-12-22-18(5-2)15(3)13-17(20(22)24)19(23)21-14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,21,23)
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20n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)

More data for this
Ligand-Target Pair
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