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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'gembus' and Initial = 'v'   
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))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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21.6n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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52.4n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392711
PNG
(CHEMBL2151380)
Show SMILES Cc1ccc(CC2CN(N=C2c2ccc(Cl)c(C)c2)C(=O)NC2C(C)(C)C3CCC2(C)C3)cc1 |c:9|
Show InChI InChI=1S/C29H36ClN3O/c1-18-6-8-20(9-7-18)15-22-17-33(32-25(22)21-10-11-24(30)19(2)14-21)27(34)31-26-28(3,4)23-12-13-29(26,5)16-23/h6-11,14,22-23,26H,12-13,15-17H2,1-5H3,(H,31,34)
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251n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392710
PNG
(CHEMBL2151379)
Show SMILES Cc1ccc(CC2CN(N=C2c2ccc(Cl)c(C)c2)C(=O)NC2CCCCC2)cc1 |c:9|
Show InChI InChI=1S/C25H30ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h8-14,21-22H,3-7,15-16H2,1-2H3,(H,27,30)
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385n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392701
PNG
(CHEMBL2151370)
Show SMILES O=C(NC1CCCCC1)N1CC(Cc2ccccc2)C(=N1)c1ccccc1 |c:21|
Show InChI InChI=1S/C23H27N3O/c27-23(24-21-14-8-3-9-15-21)26-17-20(16-18-10-4-1-5-11-18)22(25-26)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,27)
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504n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392708
PNG
(CHEMBL2151377)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1Cc1ccccc1)C(=O)NC1C(C)(C)C2CCC1(C)C2 |t:9|
Show InChI InChI=1S/C28H34ClN3O/c1-18-14-20(10-11-23(18)29)24-21(15-19-8-6-5-7-9-19)17-32(31-24)26(33)30-25-27(2,3)22-12-13-28(25,4)16-22/h5-11,14,21-22,25H,12-13,15-17H2,1-4H3,(H,30,33)
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689n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392708
PNG
(CHEMBL2151377)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1Cc1ccccc1)C(=O)NC1C(C)(C)C2CCC1(C)C2 |t:9|
Show InChI InChI=1S/C28H34ClN3O/c1-18-14-20(10-11-23(18)29)24-21(15-19-8-6-5-7-9-19)17-32(31-24)26(33)30-25-27(2,3)22-12-13-28(25,4)16-22/h5-11,14,21-22,25H,12-13,15-17H2,1-4H3,(H,30,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392709
PNG
(CHEMBL2151378)
Show SMILES Cc1ccc(CC2CN(N=C2c2ccc(Cl)c(C)c2)C(=O)Nc2ccccc2)cc1 |c:9|
Show InChI InChI=1S/C25H24ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h3-14,21H,15-16H2,1-2H3,(H,27,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392707
PNG
(CHEMBL2151376)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1Cc1ccccc1)C(=O)NC1CCCCC1 |t:9|
Show InChI InChI=1S/C24H28ClN3O/c1-17-14-19(12-13-22(17)25)23-20(15-18-8-4-2-5-9-18)16-28(27-23)24(29)26-21-10-6-3-7-11-21/h2,4-5,8-9,12-14,20-21H,3,6-7,10-11,15-16H2,1H3,(H,26,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392711
PNG
(CHEMBL2151380)
Show SMILES Cc1ccc(CC2CN(N=C2c2ccc(Cl)c(C)c2)C(=O)NC2C(C)(C)C3CCC2(C)C3)cc1 |c:9|
Show InChI InChI=1S/C29H36ClN3O/c1-18-6-8-20(9-7-18)15-22-17-33(32-25(22)21-10-11-24(30)19(2)14-21)27(34)31-26-28(3,4)23-12-13-29(26,5)16-23/h6-11,14,22-23,26H,12-13,15-17H2,1-5H3,(H,31,34)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392699
PNG
(CHEMBL2151368)
Show SMILES CC(=O)N1CC(Cc2ccccc2)C(=N1)c1ccccc1 |c:14|
Show InChI InChI=1S/C18H18N2O/c1-14(21)20-13-17(12-15-8-4-2-5-9-15)18(19-20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392700
PNG
(CHEMBL2151369)
Show SMILES O=C(Nc1ccccc1)N1CC(Cc2ccccc2)C(=N1)c1ccccc1 |c:21|
Show InChI InChI=1S/C23H21N3O/c27-23(24-21-14-8-3-9-15-21)26-17-20(16-18-10-4-1-5-11-18)22(25-26)19-12-6-2-7-13-19/h1-15,20H,16-17H2,(H,24,27)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392702
PNG
(CHEMBL2151371)
Show SMILES Clc1ccc(cc1)C1=NN(CC1Cc1ccccc1)C(=O)Nc1ccccc1 |t:8|
Show InChI InChI=1S/C23H20ClN3O/c24-20-13-11-18(12-14-20)22-19(15-17-7-3-1-4-8-17)16-27(26-22)23(28)25-21-9-5-2-6-10-21/h1-14,19H,15-16H2,(H,25,28)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392703
PNG
(CHEMBL2151372)
Show SMILES Clc1ccc(cc1)C1=NN(CC1Cc1ccccc1)C(=O)NC1CCCCC1 |t:8|
Show InChI InChI=1S/C23H26ClN3O/c24-20-13-11-18(12-14-20)22-19(15-17-7-3-1-4-8-17)16-27(26-22)23(28)25-21-9-5-2-6-10-21/h1,3-4,7-8,11-14,19,21H,2,5-6,9-10,15-16H2,(H,25,28)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392704
PNG
(CHEMBL2151373)
Show SMILES Cc1cccc(c1)C1=NN(CC1Cc1ccccc1)C(=O)Nc1ccccc1 |t:8|
Show InChI InChI=1S/C24H23N3O/c1-18-9-8-12-20(15-18)23-21(16-19-10-4-2-5-11-19)17-27(26-23)24(28)25-22-13-6-3-7-14-22/h2-15,21H,16-17H2,1H3,(H,25,28)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392705
PNG
(CHEMBL2151374)
Show SMILES Cc1cccc(c1)C1=NN(CC1Cc1ccccc1)C(=O)NC1CCCCC1 |t:8|
Show InChI InChI=1S/C24H29N3O/c1-18-9-8-12-20(15-18)23-21(16-19-10-4-2-5-11-19)17-27(26-23)24(28)25-22-13-6-3-7-14-22/h2,4-5,8-12,15,21-22H,3,6-7,13-14,16-17H2,1H3,(H,25,28)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392712
PNG
(CHEMBL2151381)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1C1CCCC1)C(=O)NC1CCCCC1 |t:9|
Show InChI InChI=1S/C22H30ClN3O/c1-15-13-17(11-12-20(15)23)21-19(16-7-5-6-8-16)14-26(25-21)22(27)24-18-9-3-2-4-10-18/h11-13,16,18-19H,2-10,14H2,1H3,(H,24,27)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392710
PNG
(CHEMBL2151379)
Show SMILES Cc1ccc(CC2CN(N=C2c2ccc(Cl)c(C)c2)C(=O)NC2CCCCC2)cc1 |c:9|
Show InChI InChI=1S/C25H30ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h8-14,21-22H,3-7,15-16H2,1-2H3,(H,27,30)
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Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392709
PNG
(CHEMBL2151378)
Show SMILES Cc1ccc(CC2CN(N=C2c2ccc(Cl)c(C)c2)C(=O)Nc2ccccc2)cc1 |c:9|
Show InChI InChI=1S/C25H24ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h3-14,21H,15-16H2,1-2H3,(H,27,30)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392707
PNG
(CHEMBL2151376)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1Cc1ccccc1)C(=O)NC1CCCCC1 |t:9|
Show InChI InChI=1S/C24H28ClN3O/c1-17-14-19(12-13-22(17)25)23-20(15-18-8-4-2-5-9-18)16-28(27-23)24(29)26-21-10-6-3-7-11-21/h2,4-5,8-9,12-14,20-21H,3,6-7,10-11,15-16H2,1H3,(H,26,29)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392706
PNG
(CHEMBL2151375)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1Cc1ccccc1)C(=O)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C24H22ClN3O/c1-17-14-19(12-13-22(17)25)23-20(15-18-8-4-2-5-9-18)16-28(27-23)24(29)26-21-10-6-3-7-11-21/h2-14,20H,15-16H2,1H3,(H,26,29)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392705
PNG
(CHEMBL2151374)
Show SMILES Cc1cccc(c1)C1=NN(CC1Cc1ccccc1)C(=O)NC1CCCCC1 |t:8|
Show InChI InChI=1S/C24H29N3O/c1-18-9-8-12-20(15-18)23-21(16-19-10-4-2-5-11-19)17-27(26-23)24(28)25-22-13-6-3-7-14-22/h2,4-5,8-12,15,21-22H,3,6-7,13-14,16-17H2,1H3,(H,25,28)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392704
PNG
(CHEMBL2151373)
Show SMILES Cc1cccc(c1)C1=NN(CC1Cc1ccccc1)C(=O)Nc1ccccc1 |t:8|
Show InChI InChI=1S/C24H23N3O/c1-18-9-8-12-20(15-18)23-21(16-19-10-4-2-5-11-19)17-27(26-23)24(28)25-22-13-6-3-7-14-22/h2-15,21H,16-17H2,1H3,(H,25,28)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392703
PNG
(CHEMBL2151372)
Show SMILES Clc1ccc(cc1)C1=NN(CC1Cc1ccccc1)C(=O)NC1CCCCC1 |t:8|
Show InChI InChI=1S/C23H26ClN3O/c24-20-13-11-18(12-14-20)22-19(15-17-7-3-1-4-8-17)16-27(26-22)23(28)25-21-9-5-2-6-10-21/h1,3-4,7-8,11-14,19,21H,2,5-6,9-10,15-16H2,(H,25,28)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392702
PNG
(CHEMBL2151371)
Show SMILES Clc1ccc(cc1)C1=NN(CC1Cc1ccccc1)C(=O)Nc1ccccc1 |t:8|
Show InChI InChI=1S/C23H20ClN3O/c24-20-13-11-18(12-14-20)22-19(15-17-7-3-1-4-8-17)16-27(26-22)23(28)25-21-9-5-2-6-10-21/h1-14,19H,15-16H2,(H,25,28)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392701
PNG
(CHEMBL2151370)
Show SMILES O=C(NC1CCCCC1)N1CC(Cc2ccccc2)C(=N1)c1ccccc1 |c:21|
Show InChI InChI=1S/C23H27N3O/c27-23(24-21-14-8-3-9-15-21)26-17-20(16-18-10-4-1-5-11-18)22(25-26)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,27)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392699
PNG
(CHEMBL2151368)
Show SMILES CC(=O)N1CC(Cc2ccccc2)C(=N1)c1ccccc1 |c:14|
Show InChI InChI=1S/C18H18N2O/c1-14(21)20-13-17(12-15-8-4-2-5-9-15)18(19-20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392700
PNG
(CHEMBL2151369)
Show SMILES O=C(Nc1ccccc1)N1CC(Cc2ccccc2)C(=N1)c1ccccc1 |c:21|
Show InChI InChI=1S/C23H21N3O/c27-23(24-21-14-8-3-9-15-21)26-17-20(16-18-10-4-1-5-11-18)22(25-26)19-12-6-2-7-13-19/h1-15,20H,16-17H2,(H,24,27)
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Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392706
PNG
(CHEMBL2151375)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1Cc1ccccc1)C(=O)Nc1ccccc1 |t:9|
Show InChI InChI=1S/C24H22ClN3O/c1-17-14-19(12-13-22(17)25)23-20(15-18-8-4-2-5-9-18)16-28(27-23)24(29)26-21-10-6-3-7-11-21/h2-14,20H,15-16H2,1H3,(H,26,29)
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>3.00E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392712
PNG
(CHEMBL2151381)
Show SMILES Cc1cc(ccc1Cl)C1=NN(CC1C1CCCC1)C(=O)NC1CCCCC1 |t:9|
Show InChI InChI=1S/C22H30ClN3O/c1-15-13-17(11-12-20(15)23)21-19(16-7-5-6-8-16)14-26(25-21)22(27)24-18-9-3-2-4-10-18/h11-13,16,18-19H,2-10,14H2,1H3,(H,24,27)
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3.64E+3n/an/an/an/an/an/an/an/a



Avenue de l'Universit£

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting


Eur J Med Chem 58: 396-404 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.031
BindingDB Entry DOI: 10.7270/Q2474BZG
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238227
PNG
(CHEMBL4071377)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C#N)C(=O)c2cc1OC
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n/an/a 2.90n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 3.20n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238223
PNG
(CHEMBL4102333)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)C(=O)c2cc1OC
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n/an/a 3.30n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238216
PNG
(CHEMBL4095535)
Show SMILES [Br-].COC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O
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n/an/a 5.80n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238235
PNG
(CHEMBL4081915)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)C(=O)c2cc1OC
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n/an/a 8.80n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238224
PNG
(CHEMBL4094081)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(C)c4)cc3C(C)=O)C(=O)c2cc1OC
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n/an/a 14n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238213
PNG
(CHEMBL4066548)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4Cl)cc3C(C)=O)C(=O)c2cc1OC
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n/an/a 18n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238225
PNG
(CHEMBL4060011)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C(C)=O)C(=O)c2cc1OC
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n/an/a 18n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238212
PNG
(CHEMBL4077952)
Show SMILES COC(=O)c1c[n+](C)c2cccc(OC(=O)N(C)C)c2c1
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n/an/a 20n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238236
PNG
(CHEMBL4068149)
Show SMILES [Br-].COC(=O)c1c[n+](Cc2ccccc2)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O
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n/an/a 26n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238220
PNG
(CHEMBL4074062)
Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(C)c(C)cc2C1=O
PDB
MMDB

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n/an/a 28n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238222
PNG
(CHEMBL4094591)
Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)Cc2c1
PDB
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n/an/a 30n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50117592
PNG
(1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...)
Show SMILES COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H24NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-11,14-15,20H,12-13,16H2,1-2H3/q+1
PDB
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PubMed
n/an/a 37n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238228
PNG
(CHEMBL4092048)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(N)=O)C(=O)c2cc1OC
PDB
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PubMed
n/an/a 41n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238240
PNG
(CHEMBL4084371)
Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc3OCOc3cc2C1=O
PDB
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PubMed
n/an/a 60n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238219
PNG
(CHEMBL4072999)
Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(C)ccc2C1=O
PDB
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PubMed
n/an/a 91n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238239
PNG
(CHEMBL4099873)
Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(Cl)ccc2C1=O
PDB
MMDB

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PubMed
n/an/a 262n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50238220
PNG
(CHEMBL4074062)
Show SMILES [Br-].CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(C)c(C)cc2C1=O
PDB

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PubMed
n/an/a 262n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50238229
PNG
(CHEMBL4061527)
Show SMILES COc1cc2CC(CC3C=CN(Cc4ccccc4C)C=C3C(C)=O)C(=O)c2cc1OC |c:9,21|
PDB
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Article
PubMed
n/an/a 428n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL




J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
More data for this
Ligand-Target Pair
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