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Compile Data Set for Download or QSAR

Found 464 hits with Last Name = 'hipkin' and Initial = 'rw'   
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))
BDBM50305990
PNG
(CHEMBL596388 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Show SMILES CCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H23ClF4N2O6S3/c1-2-20(14-27-37(33,34)21(24,25)26)9-11-28(12-10-20)36(31,32)18-8-7-15(22)13-19(18)35(29,30)17-6-4-3-5-16(17)23/h3-8,13,27H,2,9-12,14H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
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))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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0.380n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 2


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
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))
BDBM50305989
PNG
(CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-19(13-26-36(32,33)20(23,24)25)8-10-27(11-9-19)35(30,31)17-7-6-14(21)12-18(17)34(28,29)16-5-3-2-4-15(16)22/h2-7,12,26H,8-11,13H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160446
PNG
(CHEMBL180465 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172146
PNG
(CHEMBL381669 | N-((S)-1-{4-[2-(2-Fluoro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C23H21F4NO5S2/c1-15(28-34(2,29)30)17-9-7-16(8-10-17)13-18-11-12-19(33-23(25,26)27)14-22(18)35(31,32)21-6-4-3-5-20(21)24/h3-12,14-15,28H,13H2,1-2H3/t15-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
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))
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))
BDBM50172182
PNG
(CHEMBL371575 | N-((S)-1-{4-[2-(2-Fluoro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H22FNO6S3/c1-15-8-13-21(22(14-15)33(29,30)20-7-5-4-6-19(20)23)32(27,28)18-11-9-17(10-12-18)16(2)24-31(3,25)26/h4-14,16,24H,1-3H3/t16-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
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))
BDBM50172164
PNG
(CHEMBL199048 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1Cc1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C24H27NO6S2/c1-17(25-32(4,26)27)19-7-5-18(6-8-19)15-20-9-10-22(31-3)16-24(20)33(28,29)23-13-11-21(30-2)12-14-23/h5-14,16-17,25H,15H2,1-4H3/t17-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172163
PNG
(CHEMBL197955 | N-{(S)-1-[4-(2-Benzenesulfonyl-4-me...)
Show SMILES COc1ccc(c(c1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C22H23NO7S3/c1-16(23-31(3,24)25)17-9-12-20(13-10-17)32(26,27)21-14-11-18(30-2)15-22(21)33(28,29)19-7-5-4-6-8-19/h4-16,23H,1-3H3/t16-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306002
PNG
(CHEMBL595705 | N-(6-(5-chloro-2-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22ClF3N2O7S3/c1-34-15-3-5-16(6-4-15)35(28,29)17-7-2-14(22)12-18(17)36(30,31)27-10-8-20(9-11-27)13-19(20)26-37(32,33)21(23,24)25/h2-7,12,19,26H,8-11,13H2,1H3
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0.650n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50211605
PNG
((S)-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
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-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
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))
BDBM50172155
PNG
(CHEMBL198246 | N-((S)-1-{4-[2-(2-Fluoro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C22H19F4NO6S3/c1-14(27-34(2,28)29)15-7-10-17(11-8-15)35(30,31)20-12-9-16(22(24,25)26)13-21(20)36(32,33)19-6-4-3-5-18(19)23/h3-14,27H,1-2H3/t14-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172168
PNG
(CHEMBL370824 | N-((S)-1-{4-[2-(4-Chloro-benzenesul...)
Show SMILES COc1ccc(c(c1)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C22H22ClNO7S3/c1-15(24-32(3,25)26)16-4-9-19(10-5-16)33(27,28)21-13-8-18(31-2)14-22(21)34(29,30)20-11-6-17(23)7-12-20/h4-15,24H,1-3H3/t15-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306008
PNG
(1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)-5-(...)
Show SMILES FC(F)(F)Oc1ccc(c(c1)S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C20H19F6N3O7S3/c21-19(22,23)36-13-4-5-14(37(30,31)17-3-1-2-8-27-17)15(11-13)38(32,33)29-9-6-18(7-10-29)12-16(18)28-39(34,35)20(24,25)26/h1-5,8,11,16,28H,6-7,9-10,12H2
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0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
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))
BDBM50172180
PNG
(CHEMBL199102 | N-((S)-1-{4-[2-(2-Fluoro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(cc2S(=O)(=O)c2ccccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H21F4NO4S2/c1-15(28-33(2,29)30)17-9-7-16(8-10-17)13-18-11-12-19(23(25,26)27)14-22(18)34(31,32)21-6-4-3-5-20(21)24/h3-12,14-15,28H,13H2,1-2H3/t15-/m0/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306000
PNG
(CHEMBL596133 | N-(6-(5-chloro-2-(2-fluorophenylsul...)
Show SMILES CS(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H22ClFN2O6S3/c1-31(25,26)23-19-13-20(19)8-10-24(11-9-20)33(29,30)18-12-14(21)6-7-17(18)32(27,28)16-5-3-2-4-15(16)22/h2-7,12,19,23H,8-11,13H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172174
PNG
(CHEMBL197777 | N-{4-[4-Methoxy-2-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(CNS(C)(=O)=O)cc1
Show InChI InChI=1S/C22H23NO8S3/c1-30-17-6-11-20(12-7-17)34(28,29)22-14-18(31-2)8-13-21(22)33(26,27)19-9-4-16(5-10-19)15-23-32(3,24)25/h4-14,23H,15H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
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))
BDBM50306017
PNG
(CHEMBL604704 | N-((1R,5S,6s)-3-(4-chloro-2-(2-fluo...)
Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C18H15ClF4N2O6S3/c19-10-5-6-15(16(7-10)32(26,27)14-4-2-1-3-13(14)20)33(28,29)25-8-11-12(9-25)17(11)24-34(30,31)18(21,22)23/h1-7,11-12,17,24H,8-9H2/t11-,12+,17+
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
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))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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1.55n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 2


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
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))
BDBM50306007
PNG
(CHEMBL592896 | N-(6-(5-chloro-2-(pyridin-2-ylsulfo...)
Show SMILES FC(F)(F)S(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C19H19ClF3N3O6S3/c20-13-4-5-14(33(27,28)17-3-1-2-8-24-17)15(11-13)34(29,30)26-9-6-18(7-10-26)12-16(18)25-35(31,32)19(21,22)23/h1-5,8,11,16,25H,6-7,9-10,12H2
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1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306016
PNG
(CHEMBL596579 | N-(6-(4-chloro-2-(2-fluorophenylsul...)
Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C20H19ClF4N2O6S3/c21-13-5-6-16(17(11-13)34(28,29)15-4-2-1-3-14(15)22)35(30,31)27-9-7-19(8-10-27)12-18(19)26-36(32,33)20(23,24)25/h1-6,11,18,26H,7-10,12H2
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1.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172183
PNG
(CHEMBL197904 | N-((S)-1-{4-[2-(2,6-Difluoro-benzen...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(cc2S(=O)(=O)c2c(F)cccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H20F5NO4S2/c1-14(29-34(2,30)31)16-8-6-15(7-9-16)12-17-10-11-18(23(26,27)28)13-21(17)35(32,33)22-19(24)4-3-5-20(22)25/h3-11,13-14,29H,12H2,1-2H3/t14-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
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))
BDBM50306003
PNG
(1,1,1-trifluoro-N-(6-(2-(2-fluorophenylsulfonyl)-5...)
Show SMILES Fc1ccccc1S(=O)(=O)c1ccc(cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C21H19F7N2O6S3/c22-14-3-1-2-4-15(14)37(31,32)16-6-5-13(20(23,24)25)11-17(16)38(33,34)30-9-7-19(8-10-30)12-18(19)29-39(35,36)21(26,27)28/h1-6,11,18,29H,7-10,12H2
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50248403
PNG
((S)-3-(2-(2,2-difluoro-1-(4-isopropylfuran-2-yl)pr...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F |r|
Show InChI InChI=1S/C23H25F2N3O5/c1-11(2)12-9-15(33-10-12)21(23(3,24)25)27-17-16(19(30)20(17)31)26-14-8-6-7-13(18(14)29)22(32)28(4)5/h6-11,21,26-27,29H,1-5H3/t21-/m0/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172179
PNG
(CHEMBL198164 | N-{(S)-1-[4-(2-Benzenesulfonyl-4-ch...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20ClNO6S3/c1-15(23-30(2,24)25)16-8-11-19(12-9-16)31(26,27)20-13-10-17(22)14-21(20)32(28,29)18-6-4-3-5-7-18/h3-15,23H,1-2H3/t15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50248279
PNG
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(furan-2-yl)...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C(F)(F)F)c(=O)c2=O)c1O |r|
Show InChI InChI=1S/C19H16F3N3O5/c1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11/h3-8,17,23-24,26H,1-2H3/t17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227000
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H25N5O4S/c1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30(28)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227005
PNG
(3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-pro...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)c(C)o1
Show InChI InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50297764
PNG
((R)-5-cyano-3-(3,4-dioxo-2-(1-phenylpropylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cc(cc(C(=O)N(C)C)c2O)C#N)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H22N4O4/c1-4-16(14-8-6-5-7-9-14)25-18-19(22(30)21(18)29)26-17-11-13(12-24)10-15(20(17)28)23(31)27(2)3/h5-11,16,25-26,28H,4H2,1-3H3/t16-/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of human [125I]IL-8 from human CXCR2


Bioorg Med Chem Lett 19: 4446-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50305993
PNG
(CHEMBL594300 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Show SMILES OCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H21ClF4N2O7S3/c21-14-5-6-17(18(11-14)35(29,30)16-4-2-1-3-15(16)22)36(31,32)27-9-7-19(13-28,8-10-27)12-26-37(33,34)20(23,24)25/h1-6,11,26,28H,7-10,12-13H2
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226999
PNG
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(5-methyl-furan...)
Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
Show InChI InChI=1S/C19H23N5O4S/c1-5-13(15-10-9-11(2)28-15)20-17-18(23-29(27)22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-,29?/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306005
PNG
(1,1,1-trifluoro-N-(6-(2-(2-fluorophenylsulfonyl)-5...)
Show SMILES Fc1ccccc1S(=O)(=O)c1ccc(OC(F)(F)F)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C21H19F7N2O7S3/c22-14-3-1-2-4-15(14)38(31,32)16-6-5-13(37-20(23,24)25)11-17(16)39(33,34)30-9-7-19(8-10-30)12-18(19)29-40(35,36)21(26,27)28/h1-6,11,18,29H,7-10,12H2
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
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))
BDBM50172175
PNG
(CHEMBL198251 | N-((S)-1-{4-[2-(3-Fluoro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(cc2S(=O)(=O)c2cccc(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H21F4NO4S2/c1-15(28-33(2,29)30)17-8-6-16(7-9-17)12-18-10-11-19(23(25,26)27)13-22(18)34(31,32)21-5-3-4-20(24)14-21/h3-11,13-15,28H,12H2,1-2H3/t15-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against Cannabinoid receptor 2


Bioorg Med Chem Lett 15: 4417-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.023
BindingDB Entry DOI: 10.7270/Q24T6HXQ
More data for this
Ligand-Target Pair
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