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Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'tuo' and Initial = 'w'   
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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.280n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50275119
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-on...)
Show SMILES O=C(CCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C17H16N2O2/c20-14(10-5-4-9-13-7-2-1-3-8-13)17-19-16-15(21-17)11-6-12-18-16/h1-3,6-8,11-12H,4-5,9-10H2
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0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50161520
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one...)
Show SMILES O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C20H22N2O2/c23-17(20-22-19-18(24-20)14-9-15-21-19)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2
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0.390n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50161525
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one...)
Show SMILES O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C21H24N2O2/c24-18(21-23-20-19(25-21)15-10-16-22-20)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16H,1-4,6,9,11,14H2
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0.520n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50350547
PNG
(CHEMBL257307)
Show SMILES CCCCCCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(21)18-20-17-16(22-18)13-11-14-19-17/h11,13-14H,2-10,12H2,1H3
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0.570n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50350545
PNG
(CHEMBL257305)
Show SMILES CCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C14H18N2O2/c1-2-3-4-5-6-8-11(17)14-16-13-12(18-14)9-7-10-15-13/h7,9-10H,2-6,8H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50350546
PNG
(CHEMBL1812708)
Show SMILES CCCCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-8-10-13(19)16-18-15-14(20-16)11-9-12-17-15/h9,11-12H,2-8,10H2,1H3
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0.75n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50100865
PNG
((Z)-1-(oxazolo[4,5-b]pyridin-2-yl)octadec-9-en-1-o...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h9-10,17,19-20H,2-8,11-16,18H2,1H3/b10-9-
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2.30n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
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)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50350554
PNG
(CHEMBL272770)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccncc2o1
Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)24-26-21-18-19-25-20-23(21)28-24/h9-10,18-20H,2-8,11-17H2,1H3/b10-9-
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3.70n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50350555
PNG
(CHEMBL1812590)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2cnccc2o1
Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)24-26-21-20-25-19-18-23(21)28-24/h9-10,18-20H,2-8,11-17H2,1H3/b10-9-
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7.20n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50350556
PNG
(CHEMBL1812591)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2cccnc2o1
Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(27)24-26-21-18-17-20-25-23(21)28-24/h9-10,17-18,20H,2-8,11-16,19H2,1H3/b10-9-
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11n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50201796
PNG
(CHEBI:5677 | Hernandezine)
Show SMILES [H][C@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6c(OC)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3 |r|
Show InChI InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
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20n/an/an/an/an/an/an/an/a



Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Binding affinity to Vanadate-sensitive ABCB1 (unknown origin)


J Nat Prod 79: 2135-42 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00597
BindingDB Entry DOI: 10.7270/Q29G5PSQ
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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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 1


(Homo sapiens (Human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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50n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Binding affinity to CB1R (unknown origin)


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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370n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
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))
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))
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))
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))
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))
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))
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))
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
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