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Compile Data Set for Download or QSAR

Found 288 hits with Last Name = 'abood' and Initial = 'm'   
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))
BDBM50454329
PNG
(CHEMBL2112647)
Show SMILES CC(C)(C)CCCCCc1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.0320n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/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/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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0.100n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029978
PNG
(CHEMBL3353441)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)/t14-,19+
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0.120n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029963
PNG
(CHEMBL3353452)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1cccs1
Show InChI InChI=1S/C26H32N4O3S/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-14-34-23)17-27-24(19)30(26(22)32)9-8-29-10-12-33-13-11-29/h2-3,14-18,21H,4-13H2,1H3,(H,28,31)
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0.170n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029958
PNG
(CHEMBL3353439)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)
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0.180n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/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/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
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0.200n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029962
PNG
(CHEMBL3353450)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1
Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)/t17-,22+
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0.270n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
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
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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0.280n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029965
PNG
(CHEMBL3353454)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1ccco1
Show InChI InChI=1S/C26H32N4O4/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-12-34-23)17-27-24(19)30(26(22)32)9-8-29-10-13-33-14-11-29/h2-3,12,15-18,21H,4-11,13-14H2,1H3,(H,28,31)
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0.350n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50053357
PNG
((6aR,10aR)-9-Hydroxymethyl-6,6-dimethyl-3-nonyl-6a...)
Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-18-15-22(27)24-20-14-19(17-26)12-13-21(20)25(2,3)28-23(24)16-18/h12,15-16,20-21,26-27H,4-11,13-14,17H2,1-3H3/t20-,21-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029989
PNG
(CHEMBL3353437)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCF)c1=O
Show InChI InChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26)
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0.560n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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0.600n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2 (CB2)


(Rattus norvegicus (Rat))
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029972
PNG
(CHEMBL3353448)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1
Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)
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0.670n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029964
PNG
(CHEMBL3353453)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C28H33FN4O3/c1-19-2-8-24(9-3-19)31-27(34)25-17-21-16-22(20-4-6-23(29)7-5-20)18-30-26(21)33(28(25)35)11-10-32-12-14-36-15-13-32/h4-7,16-19,24H,2-3,8-15H2,1H3,(H,31,34)
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0.680n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.720n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50053357
PNG
((6aR,10aR)-9-Hydroxymethyl-6,6-dimethyl-3-nonyl-6a...)
Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-18-15-22(27)24-20-14-19(17-26)12-13-21(20)25(2,3)28-23(24)16-18/h12,15-16,20-21,26-27H,4-11,13-14,17H2,1-3H3/t20-,21-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50053359
PNG
((6aR,10aR)-6,6,9-Trimethyl-3-nonyl-6a,7,10,10a-tet...)
Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-5-6-7-8-9-10-11-12-19-16-22(26)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21,26H,5-12,14-15H2,1-4H3/t20-,21-/m1/s1
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0.770n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258652
PNG
(CHEMBL466651 | N-(4-Methylcyclohexyl)-1-(p-fluorob...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)
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0.900n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029974
PNG
(CHEMBL3353446)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1cccs1
Show InChI InChI=1S/C27H26FN3O2S/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)/t17-,22+
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0.960n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50092584
PNG
(CHEMBL331838 | [3-(1,1-Dimethyl-heptyl)-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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1n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029979
PNG
(CHEMBL3353440)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)/t14-,19-
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
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
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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1.19n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 292: 886-94 (2000)


BindingDB Entry DOI: 10.7270/Q2542M4J
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50454329
PNG
(CHEMBL2112647)
Show SMILES CC(C)(C)CCCCCc1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 1 using [H]CP-55940 as radioligand in rat brain membranes


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029959
PNG
(CHEMBL3353442)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H29BrN4O3/c1-15-2-4-18(5-3-15)25-21(28)19-13-16-12-17(23)14-24-20(16)27(22(19)29)7-6-26-8-10-30-11-9-26/h12-15,18H,2-11H2,1H3,(H,25,28)
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029928
PNG
(CHEMBL3353436)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCF)c1=O
Show InChI InChI=1S/C20H26FN3O2/c1-14-6-8-16(9-7-14)23-19(25)17-13-15-5-4-11-22-18(15)24(20(17)26)12-3-2-10-21/h4-5,11,13-14,16H,2-3,6-10,12H2,1H3,(H,23,25)
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029980
PNG
(CHEMBL3353438)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCCF)c1=O
Show InChI InChI=1S/C22H30FN3O2/c1-16-8-10-18(11-9-16)25-21(27)19-15-17-7-6-13-24-20(17)26(22(19)28)14-5-3-2-4-12-23/h6-7,13,15-16,18H,2-5,8-12,14H2,1H3,(H,25,27)
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029960
PNG
(CHEMBL3353451)
Show SMILES COc1ccc(cc1)-c1cnc2n(CCN3CCOCC3)c(=O)c(cc2c1)C(=O)NC1CCC(C)CC1
Show InChI InChI=1S/C29H36N4O4/c1-20-3-7-24(8-4-20)31-28(34)26-18-22-17-23(21-5-9-25(36-2)10-6-21)19-30-27(22)33(29(26)35)12-11-32-13-15-37-16-14-32/h5-6,9-10,17-20,24H,3-4,7-8,11-16H2,1-2H3,(H,31,34)
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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1.5n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Adenylylcyclase in cannabinoid receptor 2 (CB2) .


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50114673
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
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1.80n/an/an/an/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)


Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029976
PNG
(CHEMBL3353444)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1cccs1
Show InChI InChI=1S/C27H26FN3O2S/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258570
PNG
(CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50092584
PNG
(CHEMBL331838 | [3-(1,1-Dimethyl-heptyl)-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3
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2n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for Cannabinoid receptor 1


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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2n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Adenylylcyclase in cannabinoid receptor 1 (CB1) .


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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2.10n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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2.20n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for cannabinoid receptor 2


J Med Chem 43: 3778-85 (2000)


Article DOI: 10.1021/jm0001572
BindingDB Entry DOI: 10.7270/Q27M0754
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029973
PNG
(CHEMBL3353447)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N3O2/c1-18-2-12-25(13-3-18)33-28(35)26-15-21-14-22(20-6-10-24(31)11-7-20)16-32-27(21)34(29(26)36)17-19-4-8-23(30)9-5-19/h4-11,14-16,18,25H,2-3,12-13,17H2,1H3,(H,33,35)
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
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
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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2.5n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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2.70n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50068666
PNG
(4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-in...)
Show SMILES C(CC1=C\C(=C/c2cccc3ccccc23)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18+
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2.70n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50029967
PNG
(CHEMBL3353424)
Show SMILES CCCCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O
Show InChI InChI=1S/C21H29N3O2/c1-3-4-5-13-24-19-16(7-6-12-22-19)14-18(21(24)26)20(25)23-17-10-8-15(2)9-11-17/h6-7,12,14-15,17H,3-5,8-11,13H2,1-2H3,(H,23,25)
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2.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50454328
PNG
(CHEMBL2112646)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1ccc(CCCCCC(C)(C)C)cc1OC2(C)C
Show InChI InChI=1S/C25H38O/c1-18-11-14-22-21(16-18)20-13-12-19(17-23(20)26-25(22,5)6)10-8-7-9-15-24(2,3)4/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50068669
PNG
(4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylide...)
Show SMILES CC1=C(CCN2CCOCC2)c2ccccc2\C1=C\c1cccc2ccccc12
Show InChI InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
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2.90n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand


J Med Chem 41: 5177-87 (1999)


Article DOI: 10.1021/jm9801197
BindingDB Entry DOI: 10.7270/Q2ST7QJJ
More data for this
Ligand-Target Pair
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