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Compile Data Set for Download or QSAR

Found 19 hits of ph data with Target = 'Cannabinoid receptor'   
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


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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Article
PubMed
0.650 -53.3n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM27341
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2
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PubMed
2.10 -50.4n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM27337
PNG
(1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...)
Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
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PubMed
2.80 -49.6n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM27338
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(piper...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N6/c23-14-4-7-16(8-5-14)31-21(17-9-6-15(24)12-18(17)25)28-19-20(26-13-27-22(19)31)29-30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11H2,(H,26,27,29)
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PubMed
3.60 -49.0n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM27340
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piper...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3N5/c23-14-4-7-16(8-5-14)30-20(17-9-6-15(24)12-18(17)25)28-19-21(26-13-27-22(19)30)29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2
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PubMed
4.20 -48.6n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM27342
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-met...)
Show SMILES CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19Cl3N6/c1-29-8-10-30(11-9-29)21-19-22(27-13-26-21)31(16-5-2-14(23)3-6-16)20(28-19)17-7-4-15(24)12-18(17)25/h2-7,12-13H,8-11H2,1H3
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PubMed
5.90 -47.8n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM82141
PNG
(WIN 55212-2)
Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12
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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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


(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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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


(Rattus norvegicus (rat))
BDBM27339
PNG
(9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(NC3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29)
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PubMed
12 -46.0n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(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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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


(Rattus norvegicus (rat))
BDBM27343
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3
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24 -44.2n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor


(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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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


(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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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


(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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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


(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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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


(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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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


(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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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


(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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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


(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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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