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PubMed code 29360044

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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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PubMed
3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292278
PNG
(CHEMBL4174271)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN5O/c1-3-23-8-10-24(11-9-23)16-15-18(21-12(2)20-16)25-17(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292270
PNG
(CHEMBL4163588)
Show SMILES CN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5O/c1-11-19-15(23-9-7-22(2)8-10-23)14-17(20-11)24-16(21-14)12-5-3-4-6-13(12)18/h3-6H,7-10H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387881
PNG
(CHEMBL2057799)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23)
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51n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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91n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292266
PNG
(CHEMBL4169388)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-2-25-7-9-26(10-8-25)15-14-17(23-11-22-15)27-16(24-14)12-5-3-4-6-13(12)18(19,20)21/h3-6,11H,2,7-10H2,1H3
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96n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292265
PNG
(CHEMBL4177237)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H16F3N5O/c1-24-6-8-25(9-7-24)14-13-16(22-10-21-14)26-15(23-13)11-4-2-3-5-12(11)17(18,19)20/h2-5,10H,6-9H2,1H3
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155n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of I-VCAM-Ig binding to Very late antigen 4 (VLA-4)


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292267
PNG
(CHEMBL4162105)
Show SMILES CC(=O)N1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H16F3N5O2/c1-11(27)25-6-8-26(9-7-25)15-14-17(23-10-22-15)28-16(24-14)12-4-2-3-5-13(12)18(19,20)21/h2-5,10H,6-9H2,1H3
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254n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292278
PNG
(CHEMBL4174271)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN5O/c1-3-23-8-10-24(11-9-23)16-15-18(21-12(2)20-16)25-17(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3
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293n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292279
PNG
(CHEMBL4176159)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5O/c1-2-22-7-9-23(10-8-22)15-14-17(20-11-19-15)24-16(21-14)12-5-3-4-6-13(12)18/h3-6,11H,2,7-10H2,1H3
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329n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292269
PNG
(CHEMBL4165549)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H16ClN5O/c1-21-6-8-22(9-7-21)14-13-16(19-10-18-14)23-15(20-13)11-4-2-3-5-12(11)17/h2-5,10H,6-9H2,1H3
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350n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292280
PNG
(CHEMBL4168970)
Show SMILES CC(=O)N1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H16ClN5O2/c1-11(24)22-6-8-23(9-7-22)15-14-17(20-10-19-15)25-16(21-14)12-4-2-3-5-13(12)18/h2-5,10H,6-9H2,1H3
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678n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292269
PNG
(CHEMBL4165549)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H16ClN5O/c1-21-6-8-22(9-7-21)14-13-16(19-10-18-14)23-15(20-13)11-4-2-3-5-12(11)17/h2-5,10H,6-9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292263
PNG
(CHEMBL4164823)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1F
Show InChI InChI=1S/C16H16FN5O/c1-21-6-8-22(9-7-21)14-13-16(19-10-18-14)23-15(20-13)11-4-2-3-5-12(11)17/h2-5,10H,6-9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292264
PNG
(CHEMBL4172723)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1F
Show InChI InChI=1S/C17H18FN5O/c1-2-22-7-9-23(10-8-22)15-14-17(20-11-19-15)24-16(21-14)12-5-3-4-6-13(12)18/h3-6,11H,2,7-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292263
PNG
(CHEMBL4164823)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1F
Show InChI InChI=1S/C16H16FN5O/c1-21-6-8-22(9-7-21)14-13-16(19-10-18-14)23-15(20-13)11-4-2-3-5-12(11)17/h2-5,10H,6-9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292264
PNG
(CHEMBL4172723)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1F
Show InChI InChI=1S/C17H18FN5O/c1-2-22-7-9-23(10-8-22)15-14-17(20-11-19-15)24-16(21-14)12-5-3-4-6-13(12)18/h3-6,11H,2,7-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292281
PNG
(CHEMBL4161047)
Show SMILES CCCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN5O/c1-2-7-23-8-10-24(11-9-23)16-15-18(21-12-20-16)25-17(22-15)13-5-3-4-6-14(13)19/h3-6,12H,2,7-11H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292279
PNG
(CHEMBL4176159)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5O/c1-2-22-7-9-23(10-8-22)15-14-17(20-11-19-15)24-16(21-14)12-5-3-4-6-13(12)18/h3-6,11H,2,7-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50387881
PNG
(CHEMBL2057799)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292258
PNG
(CHEMBL4164392)
Show SMILES CCCCCNc1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H17ClN4O/c1-2-3-6-9-18-14-13-16(20-10-19-14)22-15(21-13)11-7-4-5-8-12(11)17/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292268
PNG
(CHEMBL4172780)
Show SMILES Clc1ccccc1-c1nc2c(ncnc2o1)N1CCOCC1
Show InChI InChI=1S/C15H13ClN4O2/c16-11-4-2-1-3-10(11)14-19-12-13(17-9-18-15(12)22-14)20-5-7-21-8-6-20/h1-4,9H,5-8H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292266
PNG
(CHEMBL4169388)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-2-25-7-9-26(10-8-25)15-14-17(23-11-22-15)27-16(24-14)12-5-3-4-6-13(12)18(19,20)21/h3-6,11H,2,7-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292265
PNG
(CHEMBL4177237)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H16F3N5O/c1-24-6-8-25(9-7-24)14-13-16(22-10-21-14)26-15(23-13)11-4-2-3-5-12(11)17(18,19)20/h2-5,10H,6-9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292262
PNG
(CHEMBL4171188)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c1-2-21-8-10-22(11-9-21)15-14-17(19-12-18-15)23-16(20-14)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292261
PNG
(CHEMBL4163287)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-20-7-9-21(10-8-20)14-13-16(18-11-17-14)22-15(19-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292257
PNG
(CHEMBL4175043)
Show SMILES COCCNc1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C14H13ClN4O2/c1-20-7-6-16-12-11-14(18-8-17-12)21-13(19-11)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,17,18)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292261
PNG
(CHEMBL4163287)
Show SMILES CN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-20-7-9-21(10-8-20)14-13-16(18-11-17-14)22-15(19-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292260
PNG
(CHEMBL4174629)
Show SMILES Clc1ccccc1-c1nc2c(NCC3CCNCC3)ncnc2o1
Show InChI InChI=1S/C17H18ClN5O/c18-13-4-2-1-3-12(13)16-23-14-15(21-10-22-17(14)24-16)20-9-11-5-7-19-8-6-11/h1-4,10-11,19H,5-9H2,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292257
PNG
(CHEMBL4175043)
Show SMILES COCCNc1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C14H13ClN4O2/c1-20-7-6-16-12-11-14(18-8-17-12)21-13(19-11)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,17,18)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292256
PNG
(CHEMBL4167826)
Show SMILES CCCCNc1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN4O/c1-2-3-8-17-13-12-15(19-9-18-13)21-14(20-12)10-6-4-5-7-11(10)16/h4-7,9H,2-3,8H2,1H3,(H,17,18,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292267
PNG
(CHEMBL4162105)
Show SMILES CC(=O)N1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H16F3N5O2/c1-11(27)25-6-8-26(9-7-25)15-14-17(23-10-22-15)28-16(24-14)12-4-2-3-5-13(12)18(19,20)21/h2-5,10H,6-9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292270
PNG
(CHEMBL4163588)
Show SMILES CN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5O/c1-11-19-15(23-9-7-22(2)8-10-23)14-17(20-11)24-16(21-14)12-5-3-4-6-13(12)18/h3-6H,7-10H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292260
PNG
(CHEMBL4174629)
Show SMILES Clc1ccccc1-c1nc2c(NCC3CCNCC3)ncnc2o1
Show InChI InChI=1S/C17H18ClN5O/c18-13-4-2-1-3-12(13)16-23-14-15(21-10-22-17(14)24-16)20-9-11-5-7-19-8-6-11/h1-4,10-11,19H,5-9H2,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292259
PNG
(CHEMBL4166726)
Show SMILES Clc1ccccc1-c1nc2c(NCC3CCCCC3)ncnc2o1
Show InChI InChI=1S/C18H19ClN4O/c19-14-9-5-4-8-13(14)17-23-15-16(21-11-22-18(15)24-17)20-10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292256
PNG
(CHEMBL4167826)
Show SMILES CCCCNc1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN4O/c1-2-3-8-17-13-12-15(19-9-18-13)21-14(20-12)10-6-4-5-7-11(10)16/h4-7,9H,2-3,8H2,1H3,(H,17,18,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292268
PNG
(CHEMBL4172780)
Show SMILES Clc1ccccc1-c1nc2c(ncnc2o1)N1CCOCC1
Show InChI InChI=1S/C15H13ClN4O2/c16-11-4-2-1-3-10(11)14-19-12-13(17-9-18-15(12)22-14)20-5-7-21-8-6-20/h1-4,9H,5-8H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292258
PNG
(CHEMBL4164392)
Show SMILES CCCCCNc1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H17ClN4O/c1-2-3-6-9-18-14-13-16(20-10-19-14)22-15(21-13)11-7-4-5-8-12(11)17/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292280
PNG
(CHEMBL4168970)
Show SMILES CC(=O)N1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H16ClN5O2/c1-11(24)22-6-8-23(9-7-22)15-14-17(20-10-19-15)25-16(21-14)12-4-2-3-5-13(12)18/h2-5,10H,6-9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292281
PNG
(CHEMBL4161047)
Show SMILES CCCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN5O/c1-2-7-23-8-10-24(11-9-23)16-15-18(21-12-20-16)25-17(22-15)13-5-3-4-6-14(13)19/h3-6,12H,2,7-11H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292259
PNG
(CHEMBL4166726)
Show SMILES Clc1ccccc1-c1nc2c(NCC3CCCCC3)ncnc2o1
Show InChI InChI=1S/C18H19ClN4O/c19-14-9-5-4-8-13(14)17-23-15-16(21-11-22-18(15)24-17)20-10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292262
PNG
(CHEMBL4171188)
Show SMILES CCN1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c1-2-21-8-10-22(11-9-21)15-14-17(19-12-18-15)23-16(20-14)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292278
PNG
(CHEMBL4174271)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN5O/c1-3-23-8-10-24(11-9-23)16-15-18(21-12(2)20-16)25-17(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Neutral antagonist activity at human CB2 assessed as restoration of forskolin-induced cAMP formation preincubated for 15 mins followed by forskolin a...


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292278
PNG
(CHEMBL4174271)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H20ClN5O/c1-3-23-8-10-24(11-9-23)16-15-18(21-12(2)20-16)25-17(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of very late antigen-4 alpha4-beta1 (VLA-4), I-VCAM-Ig as radioligand


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292270
PNG
(CHEMBL4163588)
Show SMILES CN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5O/c1-11-19-15(23-9-7-22(2)8-10-23)14-17(20-11)24-16(21-14)12-5-3-4-6-13(12)18/h3-6H,7-10H2,1-2H3
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n/an/a 930n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Neutral antagonist activity at human CB2 assessed as inhibition of WIN552122-induced suppression of cAMP formation preincubated for 15 mins followed ...


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292270
PNG
(CHEMBL4163588)
Show SMILES CN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5O/c1-11-19-15(23-9-7-22(2)8-10-23)14-17(20-11)24-16(21-14)12-5-3-4-6-13(12)18/h3-6H,7-10H2,1-2H3
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n/an/a 930n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Neutral antagonist activity at human CB2 assessed as restoration of forskolin-induced cAMP formation preincubated for 15 mins followed by forskolin a...


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%