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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50016699   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172177
PNG
(CHEMBL198252 | N-(1-{4-[4-Methoxy-2-(4-methoxy-ben...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)C(C)(C)NS(C)(=O)=O
Show InChI InChI=1S/C24H27NO8S3/c1-24(2,25-34(5,26)27)17-6-11-20(12-7-17)35(28,29)22-15-10-19(33-4)16-23(22)36(30,31)21-13-8-18(32-3)9-14-21/h6-16,25H,1-5H3
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6n/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))
BDBM50172172
PNG
(CHEMBL198253 | N-((S)-1-{4-[4-Chloro-2-(2-chloro-b...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H19Cl2NO6S3/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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6n/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))
BDBM50172159
PNG
(CHEMBL198304 | N-((S)-1-{4-[4-Chloro-2-(4-chloro-b...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(Cl)cc2S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H21Cl2NO4S2/c1-15(25-30(2,26)27)17-5-3-16(4-6-17)13-18-7-8-20(24)14-22(18)31(28,29)21-11-9-19(23)10-12-21/h3-12,14-15,25H,13H2,1-2H3/t15-/m0/s1
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6.70n/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))
BDBM50172176
PNG
(CHEMBL196518 | N-((S)-1-{4-[2-(4-Chloro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C22H19ClF3NO6S3/c1-14(27-34(2,28)29)15-3-8-18(9-4-15)35(30,31)20-12-5-16(22(24,25)26)13-21(20)36(32,33)19-10-6-17(23)7-11-19/h3-14,27H,1-2H3/t14-/m0/s1
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8n/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))
BDBM50172152
PNG
(CHEMBL199139 | N-((S)-1-{4-[2-(2-Fluoro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccccc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H20FNO6S3/c1-15(23-30(2,24)25)16-11-13-17(14-12-16)31(26,27)20-9-5-6-10-21(20)32(28,29)19-8-4-3-7-18(19)22/h3-15,23H,1-2H3/t15-/m0/s1
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9n/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))
BDBM50172171
PNG
(CHEMBL197985 | N-((S)-1-{4-[4-Chloro-2-(4-chloro-b...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19Cl2NO6S3/c1-14(24-31(2,25)26)15-3-8-18(9-4-15)32(27,28)20-12-7-17(23)13-21(20)33(29,30)19-10-5-16(22)6-11-19/h3-14,24H,1-2H3/t14-/m0/s1
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10n/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))
BDBM50172154
PNG
(CHEMBL198616 | N-((S)-1-{4-[2-(4-Chloro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(O)cc1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO7S3/c1-14(23-31(2,25)26)15-3-8-18(9-4-15)32(27,28)20-12-7-17(24)13-21(20)33(29,30)19-10-5-16(22)6-11-19/h3-14,23-24H,1-2H3/t14-/m0/s1
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13n/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))
BDBM50172150
PNG
(CHEMBL199029 | N-((S)-1-{4-[4-Trifluoromethoxy-2-(...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C24H21F6NO6S2/c1-15(31-38(2,32)33)17-9-7-16(8-10-17)13-18-11-12-19(36-23(25,26)27)14-22(18)39(34,35)21-6-4-3-5-20(21)37-24(28,29)30/h3-12,14-15,31H,13H2,1-2H3/t15-/m0/s1
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16n/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))
BDBM50172149
PNG
(CHEMBL381211 | N-((S)-1-{4-[4-Chloro-2-(3-chloro-b...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H19Cl2NO6S3/c1-14(24-31(2,25)26)15-6-9-18(10-7-15)32(27,28)20-11-8-17(23)13-21(20)33(29,30)19-5-3-4-16(22)12-19/h3-14,24H,1-2H3/t14-/m0/s1
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23n/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))
BDBM50172148
PNG
(CHEMBL198062 | N-((R)-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-/m1/s1
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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))
BDBM50172170
PNG
(CHEMBL199089 | N-((S)-1-{4-[4-Trifluoromethoxy-2-(...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H21F6NO5S2/c1-15(31-37(2,32)33)17-8-6-16(7-9-17)12-18-10-11-20(36-24(28,29)30)14-22(18)38(34,35)21-5-3-4-19(13-21)23(25,26)27/h3-11,13-15,31H,12H2,1-2H3/t15-/m0/s1
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35n/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))
BDBM50172165
PNG
(CHEMBL194999 | N-((S)-1-{4-[2-(4-Chloro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccccc1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO6S3/c1-15(23-30(2,24)25)16-7-11-18(12-8-16)31(26,27)20-5-3-4-6-21(20)32(28,29)19-13-9-17(22)10-14-19/h3-15,23H,1-2H3/t15-/m0/s1
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58n/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))
BDBM50172173
PNG
(CHEMBL198452 | N-[(S)-1-(4-{1-[4-Chloro-2-(4-chlor...)
Show SMILES CCC(c1ccc(cc1)[C@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25Cl2NO4S2/c1-4-22(18-7-5-17(6-8-18)16(2)27-32(3,28)29)23-14-11-20(26)15-24(23)33(30,31)21-12-9-19(25)10-13-21/h5-16,22,27H,4H2,1-3H3/t16-,22?/m0/s1
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76n/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))
BDBM50172167
PNG
(CHEMBL371040 | N-[(S)-1-(4-{4-Chloro-2-[1-(2-fluor...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1C(C)(O)c1ccccc1F
Show InChI InChI=1S/C23H23ClFNO5S2/c1-15(26-32(3,28)29)16-8-11-18(12-9-16)33(30,31)22-13-10-17(24)14-20(22)23(2,27)19-6-4-5-7-21(19)25/h4-15,26-27H,1-3H3/t15-,23?/m0/s1
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77n/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))
BDBM50172161
PNG
(CHEMBL370445 | N-[(S)-1-(4-{1-[2-(2-Fluoro-benzene...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)C(=C)c1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C24H21F4NO5S2/c1-15(17-8-10-18(11-9-17)16(2)29-35(3,30)31)20-13-12-19(34-24(26,27)28)14-23(20)36(32,33)22-7-5-4-6-21(22)25/h4-14,16,29H,1H2,2-3H3/t16-/m0/s1
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86n/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))
BDBM50172166
PNG
(CHEMBL369948 | N-((S)-1-{4-[4-Chloro-2-(2-trifluor...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C22H19ClF3NO7S3/c1-14(27-35(2,28)29)15-7-10-17(11-8-15)36(30,31)20-12-9-16(23)13-21(20)37(32,33)19-6-4-3-5-18(19)34-22(24,25)26/h3-14,27H,1-2H3/t14-/m0/s1
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128n/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))
BDBM50172160
PNG
(CHEMBL381212 | N-((S)-1-{4-[4-Chloro-2-(4-chloro-b...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2NO4S2/c1-15(25-30(2,26)27)17-5-10-21(11-6-17)31(28,29)22-12-9-20(24)14-18(22)13-16-3-7-19(23)8-4-16/h3-12,14-15,25H,13H2,1-2H3/t15-/m0/s1
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164n/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))
BDBM50172162
PNG
(CHEMBL198552 | N-(1-{4-[2-(2-Fluoro-benzenesulfony...)
Show SMILES CC(NS(C)(=O)=O)c1ccc(cc1)C(=O)c1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H19F4NO6S2/c1-14(28-35(2,30)31)15-7-9-16(10-8-15)22(29)18-12-11-17(34-23(25,26)27)13-21(18)36(32,33)20-6-4-3-5-19(20)24/h3-14,28H,1-2H3
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179n/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))
BDBM50172153
PNG
(CHEMBL197940 | N-((S)-1-{4-[4-Chloro-2-(4-chloro-b...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19Cl2NO5S2/c1-14(25-31(2,27)28)15-5-10-19(11-6-15)32(29,30)21-12-9-18(24)13-20(21)22(26)16-3-7-17(23)8-4-16/h3-14,25H,1-2H3/t14-/m0/s1
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192n/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))
BDBM50172147
PNG
(CHEMBL373177 | N-[1-(4-{(S)-4-Chloro-2-[1-(4-chlor...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1C(C)(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23Cl2NO5S2/c1-15(26-32(3,28)29)16-4-11-20(12-5-16)33(30,31)22-13-10-19(25)14-21(22)23(2,27)17-6-8-18(24)9-7-17/h4-15,26-27H,1-3H3/t15-,23?/m0/s1
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230n/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))
BDBM50172169
PNG
(CHEMBL383182 | N-((S)-1-{4-[2-(4-Chloro-benzenesul...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(OC2CCCC2)cc1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClNO7S3/c1-18(28-36(2,29)30)19-7-12-23(13-8-19)37(31,32)25-16-11-22(35-21-5-3-4-6-21)17-26(25)38(33,34)24-14-9-20(27)10-15-24/h7-18,21,28H,3-6H2,1-2H3/t18-/m0/s1
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232n/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))
BDBM50172178
PNG
(CHEMBL383138 | N-[(S)-1-(4-{4-Chloro-2-[1-(2-fluor...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1C(=C)c1ccccc1F
Show InChI InChI=1S/C23H21ClFNO4S2/c1-15(20-6-4-5-7-22(20)25)21-14-18(24)10-13-23(21)32(29,30)19-11-8-17(9-12-19)16(2)26-31(3,27)28/h4-14,16,26H,1H2,2-3H3/t16-/m0/s1
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247n/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))
BDBM50172184
PNG
(CHEMBL198128 | N-((S)-1-{4-[4-Chloro-2-(4-chloro-p...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O4S2/c1-14(25-30(2,26)27)15-3-10-19(11-4-15)31(28,29)21-12-7-17(23)13-20(21)24-18-8-5-16(22)6-9-18/h3-14,24-25H,1-2H3/t14-/m0/s1
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278n/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))
BDBM50172157
PNG
(CHEMBL383349 | N-[(S)-1-(4-{[4-Chloro-2-(4-chloro-...)
Show SMILES CO\N=C(/c1ccc(cc1)[C@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22Cl2N2O5S2/c1-15(27-33(3,28)29)16-4-6-17(7-5-16)23(26-32-2)21-13-10-19(25)14-22(21)34(30,31)20-11-8-18(24)9-12-20/h4-15,27H,1-3H3/b26-23+/t15-/m0/s1
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406n/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))
BDBM50172156
PNG
(CHEMBL197825 | N-(1-{4-[4-Chloro-2-(4-chloro-benze...)
Show SMILES CC(NS(C)(=O)=O)c1ccc(cc1)C(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19Cl2NO5S2/c1-14(25-31(2,27)28)15-3-5-16(6-4-15)22(26)20-12-9-18(24)13-21(20)32(29,30)19-10-7-17(23)8-11-19/h3-14,25H,1-2H3
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Article
PubMed
410n/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))
BDBM50172151
PNG
(CHEMBL199243 | N-((S)-1-{4-[4-Chloro-2-(4-chloro-p...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19Cl2NO5S2/c1-14(24-30(2,25)26)15-3-10-19(11-4-15)31(27,28)21-12-7-17(23)13-20(21)29-18-8-5-16(22)6-9-18/h3-14,24H,1-2H3/t14-/m0/s1
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Article
PubMed
983n/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