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Compile Data Set for Download or QSAR

Found 1014 hits with Last Name = 'zi' and Initial = 'x'   
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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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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544690
PNG
(CHEMBL4647719)
Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r|
Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1
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44n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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68n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544691
PNG
(CHEMBL4635391)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1
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78n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544693
PNG
(CHEMBL4635968)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccoc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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86n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544694
PNG
(CHEMBL4648310)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccco2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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118n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544696
PNG
(CHEMBL4642922)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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147n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544697
PNG
(CHEMBL2218759)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
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176n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544695
PNG
(CHEMBL4648902)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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256n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544692
PNG
(CHEMBL4638071)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2nccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)7-10)8-19-14(22)12-3-4-13(21)20(12)15-18-5-6-23-15/h1-2,5-7,12H,3-4,8H2,(H,19,22)/t12-/m0/s1
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489n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
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 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 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))
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))
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))
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))
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 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 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 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))
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))
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 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))
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 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))
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))
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 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))
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))
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))
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 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))
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))
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))
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
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