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PubMed code 19895505

Compile data set for download or QSAR
Found 11 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


(Rattus norvegicus (rat))
BDBM82141
PNG
(WIN 55212-2)
Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6|
Show InChI InChI=1S/C27H28N2O3/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/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1
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UniChem
Article
PubMed
7.30 -46.4n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82135
PNG
(5-Substituted derivative, 5)
Show SMILES Clc1ccc2N(CCN3CCOCC3)C(=O)\C(=N/c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C24H22ClN3O2/c25-18-8-9-22-20(16-18)23(24(29)28(22)11-10-27-12-14-30-15-13-27)26-21-7-3-5-17-4-1-2-6-19(17)21/h1-9,16H,10-15H2/b26-23-
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Article
PubMed
8.40 -46.1n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82140
PNG
(4-methyl-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-...)
Show SMILES Cc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
Show InChI InChI=1S/C22H27N3O/c1-18-6-8-20(9-7-18)23-16-19-17-25(22-5-3-2-4-21(19)22)11-10-24-12-14-26-15-13-24/h2-9,17,23H,10-16H2,1H3
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Article
PubMed
15.7 -44.5n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82139
PNG
(4-chloro-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-...)
Show SMILES Clc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
Show InChI InChI=1S/C21H24ClN3O/c22-18-5-7-19(8-6-18)23-15-17-16-25(21-4-2-1-3-20(17)21)10-9-24-11-13-26-14-12-24/h1-8,16,23H,9-15H2
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Article
PubMed
24.1 -43.5n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82137
PNG
(4-methoxy-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol...)
Show SMILES COc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1
Show InChI InChI=1S/C22H27N3O2/c1-26-20-8-6-19(7-9-20)23-16-18-17-25(22-5-3-2-4-21(18)22)11-10-24-12-14-27-15-13-24/h2-9,17,23H,10-16H2,1H3
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Article
PubMed
42.6 -42.1n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82138
PNG
(N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}meth...)
Show SMILES C(Cn1cc(CNc2cccc3ccccc23)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C25H27N3O/c1-2-8-22-20(6-1)7-5-10-24(22)26-18-21-19-28(25-11-4-3-9-23(21)25)13-12-27-14-16-29-17-15-27/h1-11,19,26H,12-18H2
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Article
PubMed
49.4 -41.7n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82136
PNG
(5-Substituted derivative, 6)
Show SMILES Cc1ccc2N(CCN3CCOCC3)C(=O)\C(=N/c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H25N3O2/c1-18-9-10-23-21(17-18)24(25(29)28(23)12-11-27-13-15-30-16-14-27)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,17H,11-16H2,1H3/b26-24-
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Article
PubMed
69.6 -40.9n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82132
PNG
(5-Substituted derivative, 2)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClN3O3/c1-27-17-5-3-16(4-6-17)23-20-18-14-15(22)2-7-19(18)25(21(20)26)9-8-24-10-12-28-13-11-24/h2-7,14H,8-13H2,1H3/b23-20-
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Article
PubMed
74.6 -40.7n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82131
PNG
(3-(Arylimino)-1-(2-morpholin-4-yl-ethyl)-1,3-dihyd...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)22-20-18-4-2-3-5-19(18)24(21(20)25)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3/b22-20-
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Article
PubMed
311 -37.1n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82133
PNG
(5-Substituted derivative, 3)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(CCN2CCOCC2)c2ccc(C)cc12
Show InChI InChI=1S/C22H25N3O3/c1-16-3-8-20-19(15-16)21(23-17-4-6-18(27-2)7-5-17)22(26)25(20)10-9-24-11-13-28-14-12-24/h3-8,15H,9-14H2,1-2H3/b23-21-
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Article
PubMed
390 -36.6n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM82134
PNG
(3-(Arylimino)-1-(2-morpholin-4-yl-ethyl)-1,3-dihyd...)
Show SMILES O=C1N(CCN2CCOCC2)c2ccccc2\C1=N\c1cccc2ccccc12
Show InChI InChI=1S/C24H23N3O2/c28-24-23(25-21-10-5-7-18-6-1-2-8-19(18)21)20-9-3-4-11-22(20)27(24)13-12-26-14-16-29-17-15-26/h1-11H,12-17H2/b25-23-
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PubMed
553 -35.7n/an/an/an/an/a7.425



Università di Napoli Federico II



Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.


Chem Biol Drug Des 75: 106-14 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%