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PubMed code 19699640

Compile data set for download or QSAR
Found 12 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))
BDBM50300458
PNG
(3-(4-chlorophenyl)-N'-(4,4-difluoropiperidin-1-yls...)
Show SMILES CN=C(NS(=O)(=O)N1CCC(F)(F)CC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:19|
Show InChI InChI=1S/C22H24ClF2N5O2S/c1-26-21(28-33(31,32)29-13-11-22(24,25)12-14-29)30-15-19(16-5-3-2-4-6-16)20(27-30)17-7-9-18(23)10-8-17/h2-10,19H,11-15H2,1H3,(H,26,28)
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12.2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
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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25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50300455
PNG
(3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)-N-m...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:19|
Show InChI InChI=1S/C24H22Cl2N4O2S/c1-27-24(29-33(31,32)21-13-11-20(26)12-14-21)30-16-15-22(17-5-3-2-4-6-17)23(28-30)18-7-9-19(25)10-8-18/h2-14,22H,15-16H2,1H3,(H,27,29)
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43n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50300457
PNG
(3-(4-chlorophenyl)-N'-(4,4-difluoropiperidin-1-yls...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(F)(F)CC1)N1CCC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:20|
Show InChI InChI=1S/C23H26ClF2N5O2S/c1-27-22(29-34(32,33)30-15-12-23(25,26)13-16-30)31-14-11-20(17-5-3-2-4-6-17)21(28-31)18-7-9-19(24)10-8-18/h2-10,20H,11-16H2,1H3,(H,27,29)
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47n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50300456
PNG
(3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(piperidin...)
Show SMILES CNC(=NS(=O)(=O)N1CCCCC1)N1CCC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:18|
Show InChI InChI=1S/C23H28ClN5O2S/c1-25-23(27-32(30,31)28-15-6-3-7-16-28)29-17-14-21(18-8-4-2-5-9-18)22(26-29)19-10-12-20(24)13-11-19/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,25,27)
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74n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50172898
PNG
(3,4-diarylpyrazoline derivative | 3-(4-chloropheny...)
Show SMILES CN=C(NS(=O)(=O)N1CCCCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:17|
Show InChI InChI=1S/C22H26ClN5O2S/c1-24-22(26-31(29,30)27-14-6-3-7-15-27)28-16-20(17-8-4-2-5-9-17)21(25-28)18-10-12-19(23)13-11-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H,24,26)
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152n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50300458
PNG
(3-(4-chlorophenyl)-N'-(4,4-difluoropiperidin-1-yls...)
Show SMILES CN=C(NS(=O)(=O)N1CCC(F)(F)CC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:19|
Show InChI InChI=1S/C22H24ClF2N5O2S/c1-26-21(28-33(31,32)29-13-11-22(24,25)12-14-29)30-15-19(16-5-3-2-4-6-16)20(27-30)17-7-9-18(23)10-8-17/h2-10,19H,11-15H2,1H3,(H,26,28)
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219n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50300457
PNG
(3-(4-chlorophenyl)-N'-(4,4-difluoropiperidin-1-yls...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(F)(F)CC1)N1CCC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:20|
Show InChI InChI=1S/C23H26ClF2N5O2S/c1-27-22(29-34(32,33)30-15-12-23(25,26)13-16-30)31-14-11-20(17-5-3-2-4-6-17)21(28-31)18-7-9-19(24)10-8-18/h2-10,20H,11-16H2,1H3,(H,27,29)
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247n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50300455
PNG
(3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)-N-m...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:19|
Show InChI InChI=1S/C24H22Cl2N4O2S/c1-27-24(29-33(31,32)21-13-11-20(26)12-14-21)30-16-15-22(17-5-3-2-4-6-17)23(28-30)18-7-9-19(25)10-8-18/h2-14,22H,15-16H2,1H3,(H,27,29)
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318n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50300456
PNG
(3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(piperidin...)
Show SMILES CNC(=NS(=O)(=O)N1CCCCC1)N1CCC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:18|
Show InChI InChI=1S/C23H28ClN5O2S/c1-25-23(27-32(30,31)28-15-6-3-7-16-28)29-17-14-21(18-8-4-2-5-9-18)22(26-29)19-10-12-20(24)13-11-19/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,25,27)
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571n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172898
PNG
(3,4-diarylpyrazoline derivative | 3-(4-chloropheny...)
Show SMILES CN=C(NS(=O)(=O)N1CCCCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:17|
Show InChI InChI=1S/C22H26ClN5O2S/c1-24-22(26-31(29,30)27-14-6-3-7-15-27)28-16-20(17-8-4-2-5-9-17)21(25-28)18-10-12-19(23)13-11-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H,24,26)
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1.32E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5675-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.007
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%