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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50032432   
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))
BDBM50329148
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES OC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H21F4N3O7S3/c22-16-6-2-4-8-18(16)36(30,31)28-17-7-3-1-5-15(17)13-19(28)37(32,33)27-11-9-20(29,10-12-27)14-26-38(34,35)21(23,24)25/h1-8,13,26,29H,9-12,14H2
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329147
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H23F4N3O6S3/c1-21(15-27-38(34,35)22(24,25)26)10-12-28(13-11-21)37(32,33)20-14-16-6-2-4-8-18(16)29(20)36(30,31)19-9-5-3-7-17(19)23/h2-9,14,27H,10-13,15H2,1H3
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0.350n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329151
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21F4N3O6S3/c22-17-6-2-4-8-19(17)35(29,30)28-18-7-3-1-5-16(18)13-20(28)36(31,32)27-11-9-15(10-12-27)14-26-37(33,34)21(23,24)25/h1-8,13,15,26H,9-12,14H2
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0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329130
PNG
((S)-1,1,1-trifluoro-N-(6-(1-(pyridin-2-ylsulfonyl)...)
Show SMILES FC(F)(F)S(=O)(=O)N[C@H]1CC11CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C21H21F3N4O6S3/c22-21(23,24)37(33,34)26-17-14-20(17)8-11-27(12-9-20)36(31,32)19-13-15-5-1-2-6-16(15)28(19)35(29,30)18-7-3-4-10-25-18/h1-7,10,13,17,26H,8-9,11-12,14H2/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329129
PNG
(CHEMBL1271093 | N-((4-ethyl-1-(5-fluoro-1-(2-fluor...)
Show SMILES CCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2cc(F)ccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H24F5N3O6S3/c1-2-22(15-29-40(36,37)23(26,27)28)9-11-30(12-10-22)39(34,35)21-14-16-13-17(24)7-8-19(16)31(21)38(32,33)20-6-4-3-5-18(20)25/h3-8,13-14,29H,2,9-12,15H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329150
PNG
(1,1,1-trifluoro-N-(1-(1-(1-(2-fluorophenylsulfonyl...)
Show SMILES CC(NS(=O)(=O)C(F)(F)F)C1CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H23F4N3O6S3/c1-15(27-38(34,35)22(24,25)26)16-10-12-28(13-11-16)37(32,33)21-14-17-6-2-4-8-19(17)29(21)36(30,31)20-9-5-3-7-18(20)23/h2-9,14-16,27H,10-13H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329144
PNG
(1,1,1-trifluoro-N-(((3S,4R)-1-(1-(2-fluorophenylsu...)
Show SMILES C[C@@H]1CN(CC[C@H]1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C22H23F4N3O6S3/c1-15-14-28(11-10-17(15)13-27-38(34,35)22(24,25)26)37(32,33)21-12-16-6-2-4-8-19(16)29(21)36(30,31)20-9-5-3-7-18(20)23/h2-9,12,15,17,27H,10-11,13-14H2,1H3/t15-,17+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329159
PNG
((R)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C21H16ClF4NO6S3/c1-13(27-36(32,33)21(24,25)26)14-6-9-16(10-7-14)34(28,29)19-11-8-15(22)12-20(19)35(30,31)18-5-3-2-4-17(18)23/h2-13,27H,1H3/t13-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329137
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES COc1ccc2n(c(cc2c1)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H23F4N3O7S3/c1-36-17-6-7-19-16(12-17)13-21(29(19)37(30,31)20-5-3-2-4-18(20)23)38(32,33)28-10-8-15(9-11-28)14-27-39(34,35)22(24,25)26/h2-7,12-13,15,27H,8-11,14H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329133
PNG
(1,1,1-trifluoro-N-((1-(1-(pyridin-2-ylsulfonyl)-1H...)
Show SMILES FC(F)(F)S(=O)(=O)NCC1CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C20H21F3N4O6S3/c21-20(22,23)36(32,33)25-14-15-8-11-26(12-9-15)35(30,31)19-13-16-5-1-2-6-17(16)27(19)34(28,29)18-7-3-4-10-24-18/h1-7,10,13,15,25H,8-9,11-12,14H2
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329139
PNG
((S)-1,1,1-trifluoro-N-(6-(1-(2-fluorophenylsulfony...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC2(C[C@@H]2NS(=O)(=O)C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C22H21F4N3O6S3/c23-16-6-2-4-8-18(16)36(30,31)29-17-7-3-1-5-15(17)13-20(29)37(32,33)28-11-9-21(10-12-28)14-19(21)27-38(34,35)22(24,25)26/h1-8,13,19,27H,9-12,14H2/t19-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329135
PNG
(1,1,1-trifluoro-N-((1-(2-(2-fluorophenylsulfonyl)f...)
Show SMILES Fc1ccccc1S(=O)(=O)c1occc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C17H18F4N2O7S3/c18-13-3-1-2-4-14(13)31(24,25)16-15(7-10-30-16)32(26,27)23-8-5-12(6-9-23)11-22-33(28,29)17(19,20)21/h1-4,7,10,12,22H,5-6,8-9,11H2
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1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329143
PNG
(1,1,1-trifluoro-N-(((3S,4S)-1-(1-(2-fluorophenylsu...)
Show SMILES C[C@@H]1CN(CC[C@@H]1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C22H23F4N3O6S3/c1-15-14-28(11-10-17(15)13-27-38(34,35)22(24,25)26)37(32,33)21-12-16-6-2-4-8-19(16)29(21)36(30,31)20-9-5-3-7-18(20)23/h2-9,12,15,17,27H,10-11,13-14H2,1H3/t15-,17-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329128
PNG
(1,1,1-trifluoro-N-((4-propyl-1-(1-(pyridin-2-ylsul...)
Show SMILES CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C23H27F3N4O6S3/c1-2-10-22(17-28-39(35,36)23(24,25)26)11-14-29(15-12-22)38(33,34)21-16-18-7-3-4-8-19(18)30(21)37(31,32)20-9-5-6-13-27-20/h3-9,13,16,28H,2,10-12,14-15,17H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329146
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C24H27F4N3O6S3/c1-2-11-23(17-29-40(36,37)24(26,27)28)12-14-30(15-13-23)39(34,35)22-16-18-7-3-5-9-20(18)31(22)38(32,33)21-10-6-4-8-19(21)25/h3-10,16,29H,2,11-15,17H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329127
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES COC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H22F4N4O7S3/c1-36-20(14-27-39(34,35)21(23,24)25)8-11-28(12-9-20)38(32,33)18-13-15-5-4-10-26-19(15)29(18)37(30,31)17-7-3-2-6-16(17)22/h2-7,10,13,27H,8-9,11-12,14H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329140
PNG
(CHEMBL1270287 | N-(((3S,4S)-4-ethyl-1-(1-(2-fluoro...)
Show SMILES CC[C@]1(CNS(=O)(=O)C(F)(F)F)CCN(C[C@H]1C)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C24H27F4N3O6S3/c1-3-23(16-29-40(36,37)24(26,27)28)12-13-30(15-17(23)2)39(34,35)22-14-18-8-4-6-10-20(18)31(22)38(32,33)21-11-7-5-9-19(21)25/h4-11,14,17,29H,3,12-13,15-16H2,1-2H3/t17-,23-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329141
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES CC1(C)CN(CCC1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H25F4N3O6S3/c1-22(2)15-29(12-11-17(22)14-28-39(35,36)23(25,26)27)38(33,34)21-13-16-7-3-5-9-19(16)30(21)37(31,32)20-10-6-4-8-18(20)24/h3-10,13,17,28H,11-12,14-15H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329156
PNG
((R)-1,1,1-trifluoro-N-(1-(4-(2-(2-fluorophenylsulf...)
Show SMILES C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccoc1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C19H15F4NO7S3/c1-12(24-34(29,30)19(21,22)23)13-6-8-14(9-7-13)32(25,26)17-10-11-31-18(17)33(27,28)16-5-3-2-4-15(16)20/h2-12,24H,1H3/t12-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329158
PNG
((R)-1,1,1-trifluoro-N-(1-(4-(1-(2-fluorophenylsulf...)
Show SMILES C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C23H18F4N2O6S3/c1-15(28-38(34,35)23(25,26)27)16-10-12-18(13-11-16)36(30,31)22-14-17-6-2-4-8-20(17)29(22)37(32,33)21-9-5-3-7-19(21)24/h2-15,28H,1H3/t15-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329157
PNG
((R)-1,1,1-trifluoro-N-(1-(4-(2-(2-fluorophenylsulf...)
Show SMILES C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)n1cccc1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C19H16F4N2O6S3/c1-13(24-34(30,31)19(21,22)23)14-8-10-15(11-9-14)33(28,29)25-12-4-7-18(25)32(26,27)17-6-3-2-5-16(17)20/h2-13,24H,1H3/t13-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329138
PNG
(1,1,1-trifluoro-N-(((1R,5S,6s)-3-(1-(2-fluoropheny...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1C[C@H]2[C@H](CNS(=O)(=O)C(F)(F)F)[C@H]2C1 |r|
Show InChI InChI=1S/C21H19F4N3O6S3/c22-17-6-2-4-8-19(17)35(29,30)28-18-7-3-1-5-13(18)9-20(28)36(31,32)27-11-15-14(16(15)12-27)10-26-37(33,34)21(23,24)25/h1-9,14-16,26H,10-12H2/t14-,15-,16+
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329142
PNG
(1,1,1-trifluoro-N-(((2S,4R)-1-(1-(2-fluorophenylsu...)
Show SMILES C[C@H]1C[C@H](CNS(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C22H23F4N3O6S3/c1-15-12-16(14-27-38(34,35)22(24,25)26)10-11-28(15)37(32,33)21-13-17-6-2-4-8-19(17)29(21)36(30,31)20-9-5-3-7-18(20)23/h2-9,13,15-16,27H,10-12,14H2,1H3/t15-,16+/m0/s1
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329131
PNG
(CHEMBL1270888 | N-((1-(1-(2-(dimethylamino)pyridin...)
Show SMILES CN(C)c1ncccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N5O6S3/c1-28(2)21-19(8-5-11-26-21)37(31,32)30-18-7-4-3-6-17(18)14-20(30)38(33,34)29-12-9-16(10-13-29)15-27-39(35,36)22(23,24)25/h3-8,11,14,16,27H,9-10,12-13,15H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329132
PNG
(1,1,1-trifluoro-N-((1-(1-(pyridin-3-ylsulfonyl)-1H...)
Show SMILES FC(F)(F)S(=O)(=O)NCC1CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C20H21F3N4O6S3/c21-20(22,23)36(32,33)25-13-15-7-10-26(11-8-15)35(30,31)19-12-16-4-1-2-6-18(16)27(19)34(28,29)17-5-3-9-24-14-17/h1-6,9,12,14-15,25H,7-8,10-11,13H2
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41n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329136
PNG
(1,1,1-trifluoro-N-((1-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES Cn1c(c(c2ccccc12)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H23F4N3O6S3/c1-28-18-8-4-2-6-16(18)20(21(28)36(30,31)19-9-5-3-7-17(19)23)37(32,33)29-12-10-15(11-13-29)14-27-38(34,35)22(24,25)26/h2-9,15,27H,10-14H2,1H3
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70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329145
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCCN(C1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C24H27F4N3O6S3/c1-17(2)23(15-29-40(36,37)24(26,27)28)12-7-13-30(16-23)39(34,35)22-14-18-8-3-5-10-20(18)31(22)38(32,33)21-11-6-4-9-19(21)25/h3-6,8-11,14,17,29H,7,12-13,15-16H2,1-2H3
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78n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329149
PNG
(1,1,1-trifluoro-N-(2-(1-(1-(2-fluorophenylsulfonyl...)
Show SMILES CC(C)(NS(=O)(=O)C(F)(F)F)C1CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H25F4N3O6S3/c1-22(2,28-39(35,36)23(25,26)27)17-11-13-29(14-12-17)38(33,34)21-15-16-7-3-5-9-19(16)30(21)37(31,32)20-10-6-4-8-18(20)24/h3-10,15,17,28H,11-14H2,1-2H3
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171n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329152
PNG
(1,1,1-trifluoro-N-(2-(1-(1-(2-fluorophenylsulfonyl...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1
Show InChI InChI=1S/C20H19F4N3O6S3/c21-16-6-2-4-8-18(16)34(28,29)27-17-7-3-1-5-15(17)11-19(27)35(30,31)26-12-14(13-26)9-10-25-36(32,33)20(22,23)24/h1-8,11,14,25H,9-10,12-13H2
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249n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329155
PNG
(1,1,1-trifluoro-N-(2-(1-(1-(2-fluorophenylsulfonyl...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCCC(CCNS(=O)(=O)C(F)(F)F)C1
Show InChI InChI=1S/C22H23F4N3O6S3/c23-18-8-2-4-10-20(18)36(30,31)29-19-9-3-1-7-17(19)14-21(29)37(32,33)28-13-5-6-16(15-28)11-12-27-38(34,35)22(24,25)26/h1-4,7-10,14,16,27H,5-6,11-13,15H2
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258n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329154
PNG
(1,1,1-trifluoro-N-(6-(1-(2-fluorophenylsulfonyl)-1...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC2(CC(C2)NS(=O)(=O)C(F)(F)F)C1 |(17.5,-27.97,;18.83,-28.75,;18.82,-30.29,;20.15,-31.07,;21.49,-30.3,;21.49,-28.76,;20.17,-27.99,;20.18,-26.45,;18.84,-27.21,;21.5,-27.23,;20.19,-24.91,;21.09,-23.65,;20.17,-22.4,;18.7,-22.89,;17.36,-22.13,;16.04,-22.9,;16.03,-24.44,;17.37,-25.21,;18.71,-24.44,;22.63,-23.64,;23.41,-24.97,;23.39,-22.31,;24.17,-23.64,;25.07,-22.39,;26.53,-22.85,;26.54,-24.39,;26.54,-25.93,;28.08,-25.93,;28.08,-24.39,;29.17,-27.02,;28.77,-28.5,;29.86,-29.59,;27.22,-28.5,;27.98,-29.83,;27.27,-31.03,;26.4,-30.07,;28.54,-31.34,;25.08,-24.87,)|
Show InChI InChI=1S/C22H21F4N3O6S3/c23-17-6-2-4-8-19(17)36(30,31)29-18-7-3-1-5-15(18)11-20(29)37(32,33)28-10-9-21(14-28)12-16(13-21)27-38(34,35)22(24,25)26/h1-8,11,16,27H,9-10,12-14H2
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452n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329134
PNG
(1,1,1-trifluoro-N-((1-(2-(2-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccccc1S(=O)(=O)c1ncccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C18H19F4N3O6S3/c19-14-4-1-2-5-15(14)32(26,27)17-16(6-3-9-23-17)33(28,29)25-10-7-13(8-11-25)12-24-34(30,31)18(20,21)22/h1-6,9,13,24H,7-8,10-12H2
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790n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329153
PNG
(1-(2-fluorophenylsulfonyl)-2-(2-(trifluoromethylsu...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC2(CN(C2)S(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C22H21F4N3O6S3/c23-17-6-2-4-8-19(17)36(30,31)29-18-7-3-1-5-16(18)13-20(29)37(32,33)27-11-9-21(10-12-27)14-28(15-21)38(34,35)22(24,25)26/h1-8,13H,9-12,14-15H2
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8.43E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair