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PubMed code 20363132

Compile data set for download or QSAR
Found 34 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))
BDBM50317250
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-20-18(21(29)26-27-10-2-3-11-27)25-28(17-9-8-15(23)12-16(17)24)19(20)13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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3n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317246
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)
Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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8.90n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317253
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-iodo-N...)
Show SMILES Clc1ccc(cc1)-n1c(I)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H18Cl3IN4O/c22-13-4-7-15(8-5-13)29-19(25)18(21(30)27-28-10-2-1-3-11-28)26-20(29)16-9-6-14(23)12-17(16)24/h4-9,12H,1-3,10-11H2,(H,27,30)
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10n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317251
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)
Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4OS/c1-31-22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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12n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317254
PNG
(CHEMBL1088507 | N-(azepan-1-yl)-1-(4-chlorophenyl)...)
Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23Cl3N4OS/c1-32-23-20(22(31)28-29-12-4-2-3-5-13-29)27-21(18-11-8-16(25)14-19(18)26)30(23)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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12n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317248
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)
Show SMILES CS(=O)(=O)c1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O3S/c1-33(31,32)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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12n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317252
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4OS/c1-31-21-19(22(30)27-28-11-3-2-4-12-28)26-29(18-10-9-16(24)13-17(18)25)20(21)14-5-7-15(23)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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13n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50163112
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)
Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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14n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317245
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CS(=O)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2S/c1-32(31)21-19(22(30)27-28-11-3-2-4-12-28)26-29(18-10-9-16(24)13-17(18)25)20(21)14-5-7-15(23)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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20n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
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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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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317255
PNG
(CHEMBL1088376 | N-(azepan-1-yl)-5-(4-chlorophenyl)...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23Cl3N4OS/c1-32-22-20(23(31)28-29-12-4-2-3-5-13-29)27-30(19-11-10-17(25)14-18(19)26)21(22)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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27n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50163122
PNG
(1-(4-Chloro-phenyl)-5-cyano-2-(2,4-dichloro-phenyl...)
Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CCCCC2)c1C#N)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3N5O/c23-14-4-7-16(8-5-14)30-19(13-26)20(22(31)28-29-10-2-1-3-11-29)27-21(30)17-9-6-15(24)12-18(17)25/h4-9,12H,1-3,10-11H2,(H,28,31)
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30n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50163120
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-7-16(24)13-19(18)25)29(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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30n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317256
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(hydro...)
Show SMILES OCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2/c23-14-4-7-16(8-5-14)29-19(13-30)20(22(31)27-28-10-2-1-3-11-28)26-21(29)17-9-6-15(24)12-18(17)25/h4-9,12,30H,1-3,10-11,13H2,(H,27,31)
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34n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50378776
PNG
(1-(4-CHLOROPHENYL)-2-(2,4-DICHLOROPHENYL)-5-(METHY...)
Show SMILES CS(=O)c1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2S/c1-32(31)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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49n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50378776
PNG
(1-(4-CHLOROPHENYL)-2-(2,4-DICHLOROPHENYL)-5-(METHY...)
Show SMILES CS(=O)c1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2S/c1-32(31)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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49n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317249
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(ethyl...)
Show SMILES CCSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl3N4OS/c1-2-32-23-20(22(31)28-29-12-4-3-5-13-29)27-21(18-11-8-16(25)14-19(18)26)30(23)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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51n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317254
PNG
(CHEMBL1088507 | N-(azepan-1-yl)-1-(4-chlorophenyl)...)
Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23Cl3N4OS/c1-32-23-20(22(31)28-29-12-4-2-3-5-13-29)27-21(18-11-8-16(25)14-19(18)26)30(23)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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325n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317255
PNG
(CHEMBL1088376 | N-(azepan-1-yl)-5-(4-chlorophenyl)...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23Cl3N4OS/c1-32-22-20(23(31)28-29-12-4-2-3-5-13-29)27-30(19-11-10-17(25)14-18(19)26)21(22)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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371n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317245
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CS(=O)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2S/c1-32(31)21-19(22(30)27-28-11-3-2-4-12-28)26-29(18-10-9-16(24)13-17(18)25)20(21)14-5-7-15(23)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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398n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50163112
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)
Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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430n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50163120
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-7-16(24)13-19(18)25)29(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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608n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317250
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-20-18(21(29)26-27-10-2-3-11-27)25-28(17-9-8-15(23)12-16(17)24)19(20)13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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634n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317252
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4OS/c1-31-21-19(22(30)27-28-11-3-2-4-12-28)26-29(18-10-9-16(24)13-17(18)25)20(21)14-5-7-15(23)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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804n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50378776
PNG
(1-(4-CHLOROPHENYL)-2-(2,4-DICHLOROPHENYL)-5-(METHY...)
Show SMILES CS(=O)c1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2S/c1-32(31)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317246
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)
Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50378776
PNG
(1-(4-CHLOROPHENYL)-2-(2,4-DICHLOROPHENYL)-5-(METHY...)
Show SMILES CS(=O)c1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2S/c1-32(31)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317249
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(ethyl...)
Show SMILES CCSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl3N4OS/c1-2-32-23-20(22(31)28-29-12-4-3-5-13-29)27-21(18-11-8-16(25)14-19(18)26)30(23)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317251
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)
Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4OS/c1-31-22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.07E+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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
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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1.58E+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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50163122
PNG
(1-(4-Chloro-phenyl)-5-cyano-2-(2,4-dichloro-phenyl...)
Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CCCCC2)c1C#N)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3N5O/c23-14-4-7-16(8-5-14)30-19(13-26)20(22(31)28-29-10-2-1-3-11-29)27-21(30)17-9-6-15(24)12-18(17)25/h4-9,12H,1-3,10-11H2,(H,28,31)
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1.59E+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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317253
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-iodo-N...)
Show SMILES Clc1ccc(cc1)-n1c(I)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H18Cl3IN4O/c22-13-4-7-15(8-5-13)29-19(25)18(21(30)27-28-10-2-1-3-11-28)26-20(29)16-9-6-14(23)12-17(16)24/h4-9,12H,1-3,10-11H2,(H,27,30)
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1.81E+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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317256
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(hydro...)
Show SMILES OCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O2/c23-14-4-7-16(8-5-14)29-19(13-30)20(22(31)27-28-10-2-1-3-11-28)26-21(29)17-9-6-15(24)12-18(17)25/h4-9,12,30H,1-3,10-11,13H2,(H,27,31)
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7.50E+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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50317248
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)
Show SMILES CS(=O)(=O)c1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O3S/c1-33(31,32)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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>1.00E+4n/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 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%