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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50014161   
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))
BDBM50138907
PNG
(CHEMBL345466 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-13-9-18(10-14-20)24(26,27)28)32-15-21(16-5-3-2-4-6-16)22(30-32)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,29,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138904
PNG
(CHEMBL158610 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:18|
Show InChI InChI=1S/C23H21ClN4O3S/c1-31-19-11-13-20(14-12-19)32(29,30)27-23(25)28-15-21(16-5-3-2-4-6-16)22(26-28)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H2,25,27)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138906
PNG
(4-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN(C)C(=NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.4,c:19|
Show InChI InChI=1S/C24H22Cl2N4O2S/c1-29(2)24(28-33(31,32)21-14-12-20(26)13-15-21)30-16-22(17-6-4-3-5-7-17)23(27-30)18-8-10-19(25)11-9-18/h3-15,22H,16H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138919
PNG
(CHEMBL158502 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:17|
Show InChI InChI=1S/C22H18ClFN4O2S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-28(26-21)22(25)27-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H2,25,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138895
PNG
(CHEMBL158935 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:17|
Show InChI InChI=1S/C23H21ClN4O2S/c1-16-7-13-20(14-8-16)31(29,30)27-23(25)28-15-21(17-5-3-2-4-6-17)22(26-28)18-9-11-19(24)12-10-18/h2-14,21H,15H2,1H3,(H2,25,27)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138896
PNG
(CHEMBL157149 | N-[1-[(R)-3-(4-Chloro-phenyl)-4-phe...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-13-9-18(10-14-20)24(26,27)28)32-15-21(16-5-3-2-4-6-16)22(30-32)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,29,31)/t21-/m0/s1
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138898
PNG
(CHEMBL155752 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN(C)C(=NS(=O)(=O)c1ccc(F)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:4.4,c:19|
Show InChI InChI=1S/C24H22ClFN4O2S/c1-29(2)24(28-33(31,32)21-14-12-20(26)13-15-21)30-16-22(17-6-4-3-5-7-17)23(27-30)18-8-10-19(25)11-9-18/h3-15,22H,16H2,1-2H3
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138899
PNG
(3-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-9-5-8-19(25)14-20)29-15-21(16-6-3-2-4-7-16)22(27-29)17-10-12-18(24)13-11-17/h2-14,21H,15H2,1H3,(H,26,28)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138902
PNG
(CHEMBL160767 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(Cl)cc1 |t:8|
Show InChI InChI=1S/C22H18Cl2N4O2S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-28(26-21)22(25)27-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H2,25,27)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138908
PNG
(CHEMBL347454 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(F)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20ClFN4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138909
PNG
(2-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN=C(NS(=O)(=O)c1ccccc1Cl)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)21-10-6-5-9-20(21)25)29-15-19(16-7-3-2-4-8-16)22(27-29)17-11-13-18(24)14-12-17/h2-14,19H,15H2,1H3,(H,26,28)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138900
PNG
(CHEMBL157591 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN=C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-9-5-8-18(14-20)24(26,27)28)32-15-21(16-6-3-2-4-7-16)22(30-32)17-10-12-19(25)13-11-17/h2-14,21H,15H2,1H3,(H,29,31)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138913
PNG
(4-Chloro-N-[1-[(R)-3-(4-chloro-phenyl)-4-phenyl-4,...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m0/s1
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138912
PNG
(CHEMBL156556 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19|
Show InChI InChI=1S/C25H25ClN4O2S/c1-16-13-17(2)24(18(3)14-16)33(31,32)29-25(27)30-15-22(19-7-5-4-6-8-19)23(28-30)20-9-11-21(26)12-10-20/h4-14,22H,15H2,1-3H3,(H2,27,29)
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138903
PNG
(CHEMBL350924 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CSC(=NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:21|
Show InChI InChI=1S/C24H19ClF3N3O2S2/c1-34-23(30-35(32,33)20-13-9-18(10-14-20)24(26,27)28)31-15-21(16-5-3-2-4-6-16)22(29-31)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3
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Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.58E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50138915
PNG
(CHEMBL156264 | N-[1-[(S)-3-(4-Chloro-phenyl)-4-phe...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-13-9-18(10-14-20)24(26,27)28)32-15-21(16-5-3-2-4-6-16)22(30-32)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,29,31)/t21-/m1/s1
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Article
PubMed
3.52E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50230537
PNG
((S)-3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1
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Patents


Similars

Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Affinity to displace CP-55,940 binding from Cannabinoid receptor 2 of human expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair