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PubMed code 18311894

Compile data set for download or QSAR
Found 107 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 2


(Homo sapiens (Human))
BDBM21301
PNG
(7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3
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0.120n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21291
PNG
(6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO2/c1-15-6-7-17-18(20(25)21-22(2,3)23(21,4)5)14-24(19(17)12-15)13-16-8-10-26-11-9-16/h6-7,12,14,16,21H,8-11,13H2,1-5H3
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0.150n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21284
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3
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0.210n/an/an/a 9.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21334
PNG
(1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C
Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-16-21(10-11-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
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0.410n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21300
PNG
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-12-16(26-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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0.510n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21290
PNG
(6-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C
Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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0.650n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21307
PNG
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O
Show InChI InChI=1S/C23H31NO4/c1-22(2)21(23(22,3)4)20(26)16-13-24(12-14-6-8-28-9-7-14)17-11-19(27-5)18(25)10-15(16)17/h10-11,13-14,21,25H,6-9,12H2,1-5H3
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0.700n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21304
PNG
(6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-16-22(10-11-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3
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0.880n/an/an/a 167n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21309
PNG
(5-(oxan-4-ylmethyl)-7-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4OCOc4cc23)C1(C)C
Show InChI InChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3
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1n/an/an/a 29.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21303
PNG
(5-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-11-10-22(16-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3
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1.30n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
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 |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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1.30n/an/an/a 125n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21333
PNG
(Tetrahydropyranyl-methyl analogue, 54 | methyl 1-(...)
Show SMILES COC(=O)c1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C24H31NO4/c1-23(2)21(24(23,3)4)20(26)18-14-25(13-15-8-10-29-11-9-15)19-12-16(22(27)28-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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1.40n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21286
PNG
(5-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C
Show InChI InChI=1S/C22H28FNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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1.60n/an/an/a 36.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21306
PNG
(5-(benzyloxy)-6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,...)
Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1OCc1ccccc1
Show InChI InChI=1S/C30H37NO4/c1-29(2)28(30(29,3)4)27(32)23-18-31(17-20-11-13-34-14-12-20)24-16-25(33-5)26(15-22(23)24)35-19-21-9-7-6-8-10-21/h6-10,15-16,18,20,28H,11-14,17,19H2,1-5H3
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1.80n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21295
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-6-5-15(24)11-16(17)18/h5-6,11,13-14,20,24H,7-10,12H2,1-4H3
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1.90n/an/an/a 11n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21289
PNG
(6-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C
Show InChI InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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2.5n/an/an/a 21n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21317
PNG
(4-{2-[6-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
Show InChI InChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-18-22(10-11-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3
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2.90n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21287
PNG
(5-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C
Show InChI InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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3n/an/an/a 132n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21293
PNG
(6-methanesulfonyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)S(C)(=O)=O)C1(C)C
Show InChI InChI=1S/C23H31NO4S/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-28-11-9-15)19-12-16(29(5,26)27)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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3n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21305
PNG
(7-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(OCc4ccccc4)cccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)23-18-30(17-20-13-15-32-16-14-20)25-22(23)11-8-12-24(25)33-19-21-9-6-5-7-10-21/h5-12,18,20,27H,13-17,19H2,1-4H3
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3.10n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21297
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)16-13-23(12-14-8-10-26-11-9-14)18-15(16)6-5-7-17(18)24/h5-7,13-14,20,24H,8-12H2,1-4H3
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3.20n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21298
PNG
(4-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c12
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)16-14-24(13-15-9-11-27-12-10-15)17-7-6-8-18(26-5)19(16)17/h6-8,14-15,21H,9-13H2,1-5H3
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3.30n/an/an/a 91n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21292
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C(F)(F)F)C1(C)C
Show InChI InChI=1S/C23H28F3NO2/c1-21(2)20(22(21,3)4)19(28)17-13-27(12-14-7-9-29-10-8-14)18-11-15(23(24,25)26)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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3.5n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21294
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)15-13-23(12-14-8-10-26-11-9-14)16-6-5-7-17(24)18(15)16/h5-7,13-14,20,24H,8-12H2,1-4H3
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3.90n/an/an/a 73n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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4.40n/an/an/a 17.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21299
PNG
(5-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-7-6-16(26-5)12-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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4.60n/an/an/a 101n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21285
PNG
(4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C
Show InChI InChI=1S/C22H25F4NO2/c1-21(2)20(22(21,3)4)19(28)12-10-27(9-11-5-7-29-8-6-11)18-13(12)14(23)15(24)16(25)17(18)26/h10-11,20H,5-9H2,1-4H3
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5n/an/an/a 40n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21331
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C
Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3
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5n/an/an/a 53n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21288
PNG
(5-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C
Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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6.60n/an/an/a 391n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21296
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)ccc23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-11-15(24)5-6-16(17)18/h5-6,11,13-14,20,24H,7-10,12H2,1-4H3
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8.5n/an/an/a 18.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21302
PNG
(4-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(OCc4ccccc4)c23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)22-18-30(17-20-13-15-32-16-14-20)23-11-8-12-24(25(22)23)33-19-21-9-6-5-7-10-21/h5-12,18,20,27H,13-17,19H2,1-4H3
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9.30n/an/an/a 502n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21310
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(N)cc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12,23H2,1-4H3
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9.30n/an/an/a 15.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21283
PNG
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3
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11.5n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21284
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3
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12 -46.0n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21290
PNG
(6-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C
Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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13 -45.8n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
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 |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
PDB

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13.3 -45.7n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21289
PNG
(6-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C
Show InChI InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-11-15(23)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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14 -45.6n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21308
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)c(O)cc23)C1(C)C
Show InChI InChI=1S/C22H29NO4/c1-21(2)20(22(21,3)4)19(26)15-12-23(11-13-5-7-27-8-6-13)16-10-18(25)17(24)9-14(15)16/h9-10,12-13,20,24-25H,5-8,11H2,1-4H3
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21n/an/an/a 28n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21333
PNG
(Tetrahydropyranyl-methyl analogue, 54 | methyl 1-(...)
Show SMILES COC(=O)c1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C24H31NO4/c1-23(2)21(24(23,3)4)20(26)18-14-25(13-15-8-10-29-11-9-15)19-12-16(22(27)28-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21328
PNG
(5-(methoxymethyl)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...)
Show SMILES COCc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C24H33NO3/c1-23(2)22(24(23,3)4)21(26)19-14-25(13-16-8-10-28-11-9-16)20-7-6-17(15-27-5)12-18(19)20/h6-7,12,14,16,22H,8-11,13,15H2,1-5H3
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26n/an/an/a 74.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21318
PNG
(4-(2-{2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)...)
Show SMILES Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C23H32N2O2/c1-16-19(20(26)21-22(2,3)23(21,4)5)17-8-6-7-9-18(17)25(16)11-10-24-12-14-27-15-13-24/h6-9,21H,10-15H2,1-5H3
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27n/an/an/a 362n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21291
PNG
(6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO2/c1-15-6-7-17-18(20(25)21-22(2,3)23(21,4)5)14-24(19(17)12-15)13-16-8-10-26-11-9-16/h6-7,12,14,16,21H,8-11,13H2,1-5H3
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28 -43.8n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21309
PNG
(5-(oxan-4-ylmethyl)-7-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4OCOc4cc23)C1(C)C
Show InChI InChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3
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28 -43.8n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21325
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)C#N)C1(C)C
Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3
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30n/an/an/a 263n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21331
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C
Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21320
PNG
(1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(N)c23)C1(C)C
Show InChI InChI=1S/C22H31N3O2/c1-21(2)20(22(21,3)4)19(26)15-14-25(9-8-24-10-12-27-13-11-24)17-7-5-6-16(23)18(15)17/h5-7,14,20H,8-13,23H2,1-4H3
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32n/an/an/a 215n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21304
PNG
(6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-16-22(10-11-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3
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33 -43.4n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21282
PNG
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)
Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
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35n/an/an/a 798n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21300
PNG
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-12-16(26-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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40 -42.9n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21301
PNG
(7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3
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45 -42.6n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21330
PNG
(1-(oxan-4-ylmethyl)-5-phenyl-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)-c2ccccc2)C1(C)C
Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-11-10-21(16-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
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58n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21332
PNG
(Tetrahydropyranyl-methyl analogue, 53 | [1-(oxan-4...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(CN)ccc23)C1(C)C
Show InChI InChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3
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62n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21285
PNG
(4,5,6,7-tetrafluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C
Show InChI InChI=1S/C22H25F4NO2/c1-21(2)20(22(21,3)4)19(28)12-10-27(9-11-5-7-29-8-6-11)18-13(12)14(23)15(24)16(25)17(18)26/h10-11,20H,5-9H2,1-4H3
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66 -41.7n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21292
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C(F)(F)F)C1(C)C
Show InChI InChI=1S/C23H28F3NO2/c1-21(2)20(22(21,3)4)19(28)17-13-27(12-14-7-9-29-10-8-14)18-11-15(23(24,25)26)5-6-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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70 -41.5n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21324
PNG
(5-(4-bromobutoxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCBr)cc23)C1(C)C
Show InChI InChI=1S/C26H36BrNO3/c1-25(2)24(26(25,3)4)23(29)21-17-28(16-18-9-13-30-14-10-18)22-8-7-19(15-20(21)22)31-12-6-5-11-27/h7-8,15,17-18,24H,5-6,9-14,16H2,1-4H3
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72n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21312
PNG
(1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C
Show InChI InChI=1S/C22H30N2O3/c1-21(2)20(22(21,3)4)19(26)17-14-24(8-7-23-9-11-27-12-10-23)18-6-5-15(25)13-16(17)18/h5-6,13-14,20,25H,7-12H2,1-4H3
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92n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21327
PNG
(Tetrahydropyranyl-methyl analogue, 48 | [1-(oxan-4...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(26)18-13-24(12-15-7-9-27-10-8-15)19-6-5-16(14-25)11-17(18)19/h5-6,11,13,15,21,25H,7-10,12,14H2,1-4H3
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113n/an/an/a 97.5n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21295
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-6-5-15(24)11-16(17)18/h5-6,11,13-14,20,24H,7-10,12H2,1-4H3
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204 -38.8n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21334
PNG
(1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C
Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-16-21(10-11-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
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228n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21314
PNG
(4-(2-{5-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl...)
Show SMILES COc1ccc2n(CCN3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C23H32N2O3/c1-22(2)21(23(22,3)4)20(26)18-15-25(9-8-24-10-12-28-13-11-24)19-7-6-16(27-5)14-17(18)19/h6-7,14-15,21H,8-13H2,1-5H3
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237n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21329
PNG
(Tetrahydropyranyl-methyl analogue, 50 | methyl 1-(...)
Show SMILES COC(=O)c1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C24H31NO4/c1-23(2)21(24(23,3)4)20(26)18-14-25(13-15-8-10-29-11-9-15)19-7-6-16(12-17(18)19)22(27)28-5/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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238n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21303
PNG
(5-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-11-10-22(16-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3
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238 -38.4n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21297
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)16-13-23(12-14-8-10-26-11-9-14)18-15(16)6-5-7-17(18)24/h5-7,13-14,20,24H,8-12H2,1-4H3
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246 -38.4n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21323
PNG
(4-{[1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyc...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCO)cc23)C1(C)C
Show InChI InChI=1S/C26H37NO4/c1-25(2)24(26(25,3)4)23(29)21-17-27(16-18-9-13-30-14-10-18)22-8-7-19(15-20(21)22)31-12-6-5-11-28/h7-8,15,17-18,24,28H,5-6,9-14,16H2,1-4H3
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260n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21299
PNG
(5-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-7-6-16(26-5)12-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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282 -38.0n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21319
PNG
(4-(2-{4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)c...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc([N+]([O-])=O)c23)C1(C)C
Show InChI InChI=1S/C22H29N3O4/c1-21(2)20(22(21,3)4)19(26)15-14-24(9-8-23-10-12-29-13-11-23)16-6-5-7-17(18(15)16)25(27)28/h5-7,14,20H,8-13H2,1-4H3
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297n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21294
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)15-13-23(12-14-8-10-26-11-9-14)16-6-5-7-17(24)18(15)16/h5-7,13-14,20,24H,8-12H2,1-4H3
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388 -37.2n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21308
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)c(O)cc23)C1(C)C
Show InChI InChI=1S/C22H29NO4/c1-21(2)20(22(21,3)4)19(26)15-12-23(11-13-5-7-27-8-6-13)16-10-18(25)17(24)9-14(15)16/h9-10,12-13,20,24-25H,5-8,11H2,1-4H3
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395 -37.2n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21287
PNG
(5-chloro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C
Show InChI InChI=1S/C22H28ClNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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512 -36.5n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21307
PNG
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O
Show InChI InChI=1S/C23H31NO4/c1-22(2)21(23(22,3)4)20(26)16-13-24(12-14-6-8-28-9-7-14)17-11-19(27-5)18(25)10-15(16)17/h10-11,13-14,21,25H,6-9,12H2,1-5H3
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783 -35.4n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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845n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21317
PNG
(4-{2-[6-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
Show InChI InChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-18-22(10-11-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3
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986n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21326
PNG
(Tetrahydropyranyl-methyl analogue, 47 | [1-(oxan-4...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C
Show InChI InChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3
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>1.00E+3n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21321
PNG
(Morpholino-ethyl analogue, 42 | N-{1-[2-(morpholin...)
Show SMILES CC(=O)Nc1cccc2n(CCN3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c12
Show InChI InChI=1S/C24H33N3O3/c1-16(28)25-18-7-6-8-19-20(18)17(21(29)22-23(2,3)24(22,4)5)15-27(19)10-9-26-11-13-30-14-12-26/h6-8,15,22H,9-14H2,1-5H3,(H,25,28)
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>1.00E+3n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21332
PNG
(Tetrahydropyranyl-methyl analogue, 53 | [1-(oxan-4...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(CN)ccc23)C1(C)C
Show InChI InChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21316
PNG
(4-{2-[5-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
Show InChI InChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-11-10-22(18-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3
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>1.00E+3n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21322
PNG
(Morpholino-ethyl analogue, 43 | N-{1-[2-(morpholin...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(NS(C)(=O)=O)c23)C1(C)C
Show InChI InChI=1S/C23H33N3O4S/c1-22(2)21(23(22,3)4)20(27)16-15-26(10-9-25-11-13-30-14-12-25)18-8-6-7-17(19(16)18)24-31(5,28)29/h6-8,15,21,24H,9-14H2,1-5H3
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>1.00E+3n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21310
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(N)cc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12,23H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21298
PNG
(4-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c12
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)16-14-24(13-15-9-11-27-12-10-15)17-7-6-8-18(26-5)19(16)17/h6-8,14-15,21H,9-13H2,1-5H3
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1.09E+3 -34.6n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21305
PNG
(7-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(OCc4ccccc4)cccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)23-18-30(17-20-13-15-32-16-14-20)25-22(23)11-8-12-24(25)33-19-21-9-6-5-7-10-21/h5-12,18,20,27H,13-17,19H2,1-4H3
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1.10E+3 -34.6n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21282
PNG
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)
Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
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1.20E+3 -34.4n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21286
PNG
(5-fluoro-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C
Show InChI InChI=1S/C22H28FNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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1.21E+3 -34.3n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21283
PNG
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3
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1.27E+3 -34.2n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21293
PNG
(6-methanesulfonyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)S(C)(=O)=O)C1(C)C
Show InChI InChI=1S/C23H31NO4S/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-28-11-9-15)19-12-16(29(5,26)27)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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1.27E+3 -34.2n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21315
PNG
(4-(2-{6-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl...)
Show SMILES COc1ccc2c(cn(CCN3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H32N2O3/c1-22(2)21(23(22,3)4)20(26)18-15-25(9-8-24-10-12-28-13-11-24)19-14-16(27-5)6-7-17(18)19/h6-7,14-15,21H,8-13H2,1-5H3
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1.29E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21315
PNG
(4-(2-{6-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl...)
Show SMILES COc1ccc2c(cn(CCN3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H32N2O3/c1-22(2)21(23(22,3)4)20(26)18-15-25(9-8-24-10-12-28-13-11-24)19-14-16(27-5)6-7-17(18)19/h6-7,14-15,21H,8-13H2,1-5H3
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1.59E+3n/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21328
PNG
(5-(methoxymethyl)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...)
Show SMILES COCc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C24H33NO3/c1-23(2)22(24(23,3)4)21(26)19-14-25(13-16-8-10-28-11-9-16)20-7-6-17(15-27-5)12-18(19)20/h6-7,12,14,16,22H,8-11,13,15H2,1-5H3
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1.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21330
PNG
(1-(oxan-4-ylmethyl)-5-phenyl-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)-c2ccccc2)C1(C)C
Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-11-10-21(16-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
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1.88E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21288
PNG
(5-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C
Show InChI InChI=1S/C22H28BrNO2/c1-21(2)20(22(21,3)4)19(25)17-13-24(12-14-7-9-26-10-8-14)18-6-5-15(23)11-16(17)18/h5-6,11,13-14,20H,7-10,12H2,1-4H3
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1.93E+3 -33.2n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21321
PNG
(Morpholino-ethyl analogue, 42 | N-{1-[2-(morpholin...)
Show SMILES CC(=O)Nc1cccc2n(CCN3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c12
Show InChI InChI=1S/C24H33N3O3/c1-16(28)25-18-7-6-8-19-20(18)17(21(29)22-23(2,3)24(22,4)5)15-27(19)10-9-26-11-13-30-14-12-26/h6-8,15,22H,9-14H2,1-5H3,(H,25,28)
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>2.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21306
PNG
(5-(benzyloxy)-6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,...)
Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1OCc1ccccc1
Show InChI InChI=1S/C30H37NO4/c1-29(2)28(30(29,3)4)27(32)23-18-31(17-20-11-13-34-14-12-20)24-16-25(33-5)26(15-22(23)24)35-19-21-9-7-6-8-10-21/h6-10,15-16,18,20,28H,11-14,17,19H2,1-5H3
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2.80E+3 -32.2n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21296
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)ccc23)C1(C)C
Show InChI InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-11-15(24)5-6-16(17)18/h5-6,11,13-14,20,24H,7-10,12H2,1-4H3
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>3.00E+3>-32.1n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21325
PNG
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)C#N)C1(C)C
Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3
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3.33E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21320
PNG
(1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(N)c23)C1(C)C
Show InChI InChI=1S/C22H31N3O2/c1-21(2)20(22(21,3)4)19(26)15-14-25(9-8-24-10-12-27-13-11-24)17-7-5-6-16(23)18(15)17/h5-7,14,20H,8-13,23H2,1-4H3
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>3.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21314
PNG
(4-(2-{5-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl...)
Show SMILES COc1ccc2n(CCN3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C23H32N2O3/c1-22(2)21(23(22,3)4)20(26)18-15-25(9-8-24-10-12-28-13-11-24)19-7-6-16(27-5)14-17(18)19/h6-7,14-15,21H,8-13H2,1-5H3
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>3.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21322
PNG
(Morpholino-ethyl analogue, 43 | N-{1-[2-(morpholin...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(NS(C)(=O)=O)c23)C1(C)C
Show InChI InChI=1S/C23H33N3O4S/c1-22(2)21(23(22,3)4)20(27)16-15-26(10-9-25-11-13-30-14-12-25)18-8-6-7-17(19(16)18)24-31(5,28)29/h6-8,15,21,24H,9-14H2,1-5H3
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4.08E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21316
PNG
(4-{2-[5-(benzyloxy)-3-[(2,2,3,3-tetramethylcyclopr...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
Show InChI InChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-11-10-22(18-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21326
PNG
(Tetrahydropyranyl-methyl analogue, 47 | [1-(oxan-4...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C
Show InChI InChI=1S/C23H32N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-6-5-16(12-24)11-17(18)19/h5-6,11,14-15,21H,7-10,12-13,24H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21302
PNG
(4-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(OCc4ccccc4)c23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)22-18-30(17-20-13-15-32-16-14-20)23-11-8-12-24(25(22)23)33-19-21-9-6-5-7-10-21/h5-12,18,20,27H,13-17,19H2,1-4H3
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>1.00E+4>-29.0n/an/an/an/an/a7.430



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21323
PNG
(4-{[1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyc...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCO)cc23)C1(C)C
Show InChI InChI=1S/C26H37NO4/c1-25(2)24(26(25,3)4)23(29)21-17-27(16-18-9-13-30-14-10-18)22-8-7-19(15-20(21)22)31-12-6-5-11-28/h7-8,15,17-18,24,28H,5-6,9-14,16H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21313
PNG
(1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(O)ccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O3/c1-21(2)20(22(21,3)4)19(26)17-14-24(8-7-23-9-11-27-12-10-23)18-13-15(25)5-6-16(17)18/h5-6,13-14,20,25H,7-12H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21319
PNG
(4-(2-{4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)c...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc([N+]([O-])=O)c23)C1(C)C
Show InChI InChI=1S/C22H29N3O4/c1-21(2)20(22(21,3)4)19(26)15-14-24(9-8-23-10-12-29-13-11-23)16-6-5-7-17(18(15)16)25(27)28/h5-7,14,20H,8-13H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21329
PNG
(Tetrahydropyranyl-methyl analogue, 50 | methyl 1-(...)
Show SMILES COC(=O)c1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
Show InChI InChI=1S/C24H31NO4/c1-23(2)21(24(23,3)4)20(26)18-14-25(13-15-8-10-29-11-9-15)19-7-6-16(12-17(18)19)22(27)28-5/h6-7,12,14-15,21H,8-11,13H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21324
PNG
(5-(4-bromobutoxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCBr)cc23)C1(C)C
Show InChI InChI=1S/C26H36BrNO3/c1-25(2)24(26(25,3)4)23(29)21-17-28(16-18-9-13-30-14-10-18)22-8-7-19(15-20(21)22)31-12-6-5-11-27/h7-8,15,17-18,24H,5-6,9-14,16H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21318
PNG
(4-(2-{2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)...)
Show SMILES Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C23H32N2O2/c1-16-19(20(26)21-22(2,3)23(21,4)5)17-8-6-7-9-18(17)25(16)11-10-24-12-14-27-15-13-24/h6-9,21H,10-15H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21312
PNG
(1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethy...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C
Show InChI InChI=1S/C22H30N2O3/c1-21(2)20(22(21,3)4)19(26)17-14-24(8-7-23-9-11-27-12-10-23)18-6-5-15(25)13-16(17)18/h5-6,13-14,20,25H,7-12H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21327
PNG
(Tetrahydropyranyl-methyl analogue, 48 | [1-(oxan-4...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(26)18-13-24(12-15-7-9-27-10-8-15)19-6-5-16(14-25)11-17(18)19/h5-6,11,13,15,21,25H,7-10,12,14H2,1-4H3
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



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 51: 1904-12 (2008)


Article DOI: 10.1021/jm7011613
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%