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PubMed code 16190764

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50172553
PNG
(CHEMBL68641 | [1-(1-Methyl-piperidin-2-ylmethyl)-1...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
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 0.75n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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 1.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50172553
PNG
(CHEMBL68641 | [1-(1-Methyl-piperidin-2-ylmethyl)-1...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
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 1.91n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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 2.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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 2.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50174549
PNG
((4-Iodo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25IN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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 5.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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 6.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50174547
PNG
(CHEMBL436120 | [6-Iodo-1-(1-methyl-piperidin-2-ylm...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc12
Show InChI InChI=1S/C26H25IN2O/c1-28-14-5-4-9-20(28)16-29-17-24(22-13-12-19(27)15-25(22)29)26(30)23-11-6-8-18-7-2-3-10-21(18)23/h2-3,6-8,10-13,15,17,20H,4-5,9,14,16H2,1H3
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 9.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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 10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50174549
PNG
((4-Iodo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25IN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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 10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50174547
PNG
(CHEMBL436120 | [6-Iodo-1-(1-methyl-piperidin-2-ylm...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc12
Show InChI InChI=1S/C26H25IN2O/c1-28-14-5-4-9-20(28)16-29-17-24(22-13-12-19(27)15-25(22)29)26(30)23-11-6-8-18-7-2-3-10-21(18)23/h2-3,6-8,10-13,15,17,20H,4-5,9,14,16H2,1H3
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 18n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


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



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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 34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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 34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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 34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50174548
PNG
((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
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 34n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50370681
PNG
(CHEMBL1788276)
Show SMILES CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 |r|
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3/t16-/m0/s1
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 560n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50370681
PNG
(CHEMBL1788276)
Show SMILES CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 |r|
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3/t16-/m0/s1
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 580n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50174546
PNG
((4-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccc(I)cc2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-10-12-18(24)13-11-17)20-8-3-4-9-21(20)26(16)15-19-7-5-6-14-25(19)2/h3-4,8-13,19H,5-7,14-15H2,1-2H3
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 790n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50174546
PNG
((4-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccc(I)cc2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-10-12-18(24)13-11-17)20-8-3-4-9-21(20)26(16)15-19-7-5-6-14-25(19)2/h3-4,8-13,19H,5-7,14-15H2,1-2H3
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 1.80E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50174545
PNG
((3-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2cccc(I)c2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-8-7-9-18(24)14-17)20-11-3-4-12-21(20)26(16)15-19-10-5-6-13-25(19)2/h3-4,7-9,11-12,14,19H,5-6,10,13,15H2,1-2H3
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 2.90E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50174545
PNG
((3-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...)
Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2cccc(I)c2)c2ccccc12
Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-8-7-9-18(24)14-17)20-11-3-4-12-21(20)26(16)15-19-10-5-6-13-25(19)2/h3-4,7-9,11-12,14,19H,5-6,10,13,15H2,1-2H3
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 9.60E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940

J Med Chem 48: 6386-92 (2005)


Article DOI: 10.1021/jm050135l
BindingDB Entry DOI: 10.7270/Q21V5FQ7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%