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PubMed code 18083560

Compile data set for download or QSAR
Found 31 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


(Homo sapiens (Human))
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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1.80n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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4.10n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86887
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(2)16-29(15-17)34(31,32)21-11-12-25-23(14-21)19(3)26(33-25)27(30)28-24-10-6-8-20-7-4-5-9-22(20)24/h4-5,7,9,11-12,14,17-18,24H,6,8,10,13,15-16H2,1-3H3,(H,28,30)
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5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86879
PNG
(CAS_22422464 | N-(2-chlorobenzyl)-5-(3,5-dimethylp...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3Cl)c(C)c2c1
Show InChI InChI=1S/C24H27ClN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)19-8-9-22-20(11-19)17(3)23(31-22)24(28)26-12-18-6-4-5-7-21(18)25/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28)
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58n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86881
PNG
(CAS_15998383 | N-(2-methoxybenzyl)-5-(3,5-dimethyl...)
Show SMILES COc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C25H30N2O5S/c1-16-11-17(2)15-27(14-16)33(29,30)20-9-10-23-21(12-20)18(3)24(32-23)25(28)26-13-19-7-5-6-8-22(19)31-4/h5-10,12,16-17H,11,13-15H2,1-4H3,(H,26,28)
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58n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86880
PNG
(CAS_11496202 | N-benzyl-5-(3,5-dimethylpiperidin-1...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3
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59n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86885
PNG
(CAS_22422466 | N-(4-fluorobenzyl)-5-(3,5-dimethylp...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1
Show InChI InChI=1S/C24H27FN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)20-8-9-22-21(11-20)17(3)23(31-22)24(28)26-12-18-4-6-19(25)7-5-18/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28)
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62n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86886
PNG
(CAS_15991674 | N-benzyl-5-(3,5-dimethylpiperidin-1...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27)
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77n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86884
PNG
(CAS_15998702 | N-cyclopentyl-5-(3,5-dimethylpiperi...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
Show InChI InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25)
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90n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86882
PNG
(CAS_4055807 | N-benzyl-5-(3,5-dimethylpiperidin-1-...)
Show SMILES CCN(Cc1ccccc1)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C26H32N2O4S/c1-5-27(17-21-9-7-6-8-10-21)26(29)25-20(4)23-14-22(11-12-24(23)32-25)33(30,31)28-15-18(2)13-19(3)16-28/h6-12,14,18-19H,5,13,15-17H2,1-4H3
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92n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86889
PNG
(CAS_4621779 | N-butyl-5-(3,5-dimethylpiperidin-1-y...)
Show SMILES CCCCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C21H30N2O4S/c1-5-6-9-22-21(24)20-16(4)18-11-17(7-8-19(18)27-20)28(25,26)23-12-14(2)10-15(3)13-23/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,22,24)
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94n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86876
PNG
(CAS_15998061 | N-(2-ethoxybenzyl)-5-(3,5-dimethylp...)
Show SMILES CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C26H32N2O5S/c1-5-32-23-9-7-6-8-20(23)14-27-26(29)25-19(4)22-13-21(10-11-24(22)33-25)34(30,31)28-15-17(2)12-18(3)16-28/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,27,29)
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97n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86877
PNG
(CAS_3379236 | N-cyclohexyl-5-(3,5-dimethylpiperidi...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1
Show InChI InChI=1S/C23H32N2O4S/c1-15-11-16(2)14-25(13-15)30(27,28)19-9-10-21-20(12-19)17(3)22(29-21)23(26)24-18-7-5-4-6-8-18/h9-10,12,15-16,18H,4-8,11,13-14H2,1-3H3,(H,24,26)
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108n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86888
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-N,3-dimethy...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)CCc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C26H32N2O4S/c1-18-14-19(2)17-28(16-18)33(30,31)22-10-11-24-23(15-22)20(3)25(32-24)26(29)27(4)13-12-21-8-6-5-7-9-21/h5-11,15,18-19H,12-14,16-17H2,1-4H3
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172n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86883
PNG
(CAS_3340785 | NSC_3340785 | azepan-1-yl(5-(3,5-dim...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1
Show InChI InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3
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193n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86891
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-13-18(2)16-27(15-17)32(29,30)21-9-10-23-22(14-21)19(3)24(31-23)25(28)26-12-11-20-7-5-4-6-8-20/h4-10,14,17-18H,11-13,15-16H2,1-3H3,(H,26,28)
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198n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
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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554n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86882
PNG
(CAS_4055807 | N-benzyl-5-(3,5-dimethylpiperidin-1-...)
Show SMILES CCN(Cc1ccccc1)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C26H32N2O4S/c1-5-27(17-21-9-7-6-8-10-21)26(29)25-20(4)23-14-22(11-12-24(23)32-25)33(30,31)28-15-18(2)13-19(3)16-28/h6-12,14,18-19H,5,13,15-17H2,1-4H3
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3.10E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86885
PNG
(CAS_22422466 | N-(4-fluorobenzyl)-5-(3,5-dimethylp...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1
Show InChI InChI=1S/C24H27FN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)20-8-9-22-21(11-20)17(3)23(31-22)24(28)26-12-18-4-6-19(25)7-5-18/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28)
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4.00E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86879
PNG
(CAS_22422464 | N-(2-chlorobenzyl)-5-(3,5-dimethylp...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3Cl)c(C)c2c1
Show InChI InChI=1S/C24H27ClN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)19-8-9-22-20(11-19)17(3)23(31-22)24(28)26-12-18-6-4-5-7-21(18)25/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28)
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4.80E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86883
PNG
(CAS_3340785 | NSC_3340785 | azepan-1-yl(5-(3,5-dim...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1
Show InChI InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3
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4.90E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86891
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-13-18(2)16-27(15-17)32(29,30)21-9-10-23-22(14-21)19(3)24(31-23)25(28)26-12-11-20-7-5-4-6-8-20/h4-10,14,17-18H,11-13,15-16H2,1-3H3,(H,26,28)
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6.00E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86886
PNG
(CAS_15991674 | N-benzyl-5-(3,5-dimethylpiperidin-1...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27)
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6.60E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86880
PNG
(CAS_11496202 | N-benzyl-5-(3,5-dimethylpiperidin-1...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3
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6.60E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86884
PNG
(CAS_15998702 | N-cyclopentyl-5-(3,5-dimethylpiperi...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
Show InChI InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25)
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7.40E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86889
PNG
(CAS_4621779 | N-butyl-5-(3,5-dimethylpiperidin-1-y...)
Show SMILES CCCCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C21H30N2O4S/c1-5-6-9-22-21(24)20-16(4)18-11-17(7-8-19(18)27-20)28(25,26)23-12-14(2)10-15(3)13-23/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,22,24)
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9.40E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86876
PNG
(CAS_15998061 | N-(2-ethoxybenzyl)-5-(3,5-dimethylp...)
Show SMILES CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C26H32N2O5S/c1-5-32-23-9-7-6-8-20(23)14-27-26(29)25-19(4)22-13-21(10-11-24(22)33-25)34(30,31)28-15-17(2)12-18(3)16-28/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,27,29)
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9.90E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86881
PNG
(CAS_15998383 | N-(2-methoxybenzyl)-5-(3,5-dimethyl...)
Show SMILES COc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
Show InChI InChI=1S/C25H30N2O5S/c1-16-11-17(2)15-27(14-16)33(29,30)20-9-10-23-21(12-20)18(3)24(32-23)25(28)26-13-19-7-5-6-8-22(19)31-4/h5-10,12,16-17H,11,13-15H2,1-4H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86890
PNG
(5-(3,5-dimethyl-piperidine-1-sulfonyl)-3-methyl-be...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(C)cc3)c(C)c2c1
Show InChI InChI=1S/C25H30N2O4S/c1-16-5-7-20(8-6-16)13-26-25(28)24-19(4)22-12-21(9-10-23(22)31-24)32(29,30)27-14-17(2)11-18(3)15-27/h5-10,12,17-18H,11,13-15H2,1-4H3,(H,26,28)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86887
PNG
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(2)16-29(15-17)34(31,32)21-11-12-25-23(14-21)19(3)26(33-25)27(30)28-24-10-6-8-20-7-4-5-9-22(20)24/h4-5,7,9,11-12,14,17-18,24H,6,8,10,13,15-16H2,1-3H3,(H,28,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86877
PNG
(CAS_3379236 | N-cyclohexyl-5-(3,5-dimethylpiperidi...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1
Show InChI InChI=1S/C23H32N2O4S/c1-15-11-16(2)14-25(13-15)30(27,28)19-9-10-21-20(12-19)17(3)22(29-21)23(26)24-18-7-5-4-6-8-18/h9-10,12,15-16,18H,4-8,11,13-14H2,1-3H3,(H,24,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1199-206 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.133
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%