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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'durand' and Initial = 't'   
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 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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70n/an/an/an/an/an/an/an/a



Universit£ de Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB1 receptor expressed in COS cells


J Med Chem 52: 1005-17 (2009)


Article DOI: 10.1021/jm8011382
BindingDB Entry DOI: 10.7270/Q2GF0TH3
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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70n/an/an/an/an/an/an/an/a



Université Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB1 receptor in COS cells


Bioorg Med Chem Lett 16: 3765-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.059
BindingDB Entry DOI: 10.7270/Q2M61JVG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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90n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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180n/an/an/an/an/an/an/an/a



Universit£ de Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB2 receptor expressed in COS cells


J Med Chem 52: 1005-17 (2009)


Article DOI: 10.1021/jm8011382
BindingDB Entry DOI: 10.7270/Q2GF0TH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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180n/an/an/an/an/an/an/an/a



Université Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB2 receptor in COS cells


Bioorg Med Chem Lett 16: 3765-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.059
BindingDB Entry DOI: 10.7270/Q2M61JVG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50186533
PNG
((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-] |r|
Show InChI InChI=1S/C27H35IN4O4/c1-22(21-33)30-26(34)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-36-27(35)24-20-23(28)17-18-25(24)31-32-29/h2,4-5,7-8,10-11,13,17-18,20,22,33H,3,6,9,12,14-16,19,21H2,1H3,(H,30,34)/b4-2-,7-5-,10-8-,13-11-/t22-/m1/s1
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220n/an/an/an/an/an/an/an/a



Université Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB2 receptor in COS cells


Bioorg Med Chem Lett 16: 3765-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.059
BindingDB Entry DOI: 10.7270/Q2M61JVG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50128915
PNG
((8Z,11Z,14Z)-1-Hydroxy-tricosa-8,11,14,17-tetraen-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CCCO
Show InChI InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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360n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM20462
PNG
((5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]ic...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
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380n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50186533
PNG
((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-] |r|
Show InChI InChI=1S/C27H35IN4O4/c1-22(21-33)30-26(34)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-36-27(35)24-20-23(28)17-18-25(24)31-32-29/h2,4-5,7-8,10-11,13,17-18,20,22,33H,3,6,9,12,14-16,19,21H2,1H3,(H,30,34)/b4-2-,7-5-,10-8-,13-11-/t22-/m1/s1
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570n/an/an/an/an/an/an/an/a



Université Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB1 receptor in COS cells


Bioorg Med Chem Lett 16: 3765-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.059
BindingDB Entry DOI: 10.7270/Q2M61JVG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096883
PNG
((5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h3-4,6-7,9-10,12-13,15-16,20-21,24,30-31H,2,5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-,13-12-,16-15-
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620n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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800n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50292882
PNG
((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cccc2OC(C)(Oc12)C(C)(C)C |r|
Show InChI InChI=1S/C33H47NO6/c1-26(25-35)34-29(36)23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-38-31(37)27-21-20-22-28-30(27)40-33(5,39-28)32(2,3)4/h6,8-9,11-12,14-15,17,20-22,26,35H,7,10,13,16,18-19,23-25H2,1-5H3,(H,34,36)/b8-6-,11-9-,14-12-,17-15-/t26-,33?/m1/s1
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1.02E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB2 receptor expressed in COS cells


J Med Chem 52: 1005-17 (2009)


Article DOI: 10.1021/jm8011382
BindingDB Entry DOI: 10.7270/Q2GF0TH3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096881
PNG
((10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C30H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h3-4,6-7,9-10,12-13,15-16,22-23,26,32-33H,2,5,8,11,14,17-21,24-25H2,1H3,(H,31,34)/b4-3-,7-6-,10-9-,13-12-,16-15-
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1.37E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096882
PNG
((5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid [2-(3,4-...)
Show SMILES CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h6-7,9-10,13-14,18-19,22,28-29H,2-5,8,11-12,15-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-,14-13-
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1.72E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50128912
PNG
((5Z,8Z,11Z)-2,2-Dimethyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)OCCO
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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2.10E+3n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Fatty-acid amide hydrolase (FAAH) in rat forebrain membranes


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50128914
PNG
((12Z,15Z)-1-Hydroxy-henicosa-12,15-dien-4-one | CH...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)CCCO
Show InChI InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,22H,2-5,8,11-20H2,1H3/b7-6-,10-9-
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2.10E+3n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096885
PNG
((6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,12-13,18-19,22,28-29H,2,5,8,11,14-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-,13-12-
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2.43E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50292882
PNG
((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cccc2OC(C)(Oc12)C(C)(C)C |r|
Show InChI InChI=1S/C33H47NO6/c1-26(25-35)34-29(36)23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-38-31(37)27-21-20-22-28-30(27)40-33(5,39-28)32(2,3)4/h6,8-9,11-12,14-15,17,20-22,26,35H,7,10,13,16,18-19,23-25H2,1-5H3,(H,34,36)/b8-6-,11-9-,14-12-,17-15-/t26-,33?/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55-940 from human recombinant CB1 receptor expressed in COS cells


J Med Chem 52: 1005-17 (2009)


Article DOI: 10.1021/jm8011382
BindingDB Entry DOI: 10.7270/Q2GF0TH3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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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3.00E+3n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Fatty-acid amide hydrolase (FAAH) in rat forebrain membranes


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50096884
PNG
((9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid [2-(3,...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,18-19,22,28-29H,2,5,8,11-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-
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3.13E+3n/an/an/an/an/an/an/an/a



Institute of Bioorganic Chemistry RAS

Curated by ChEMBL


Assay Description
Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...


Bioorg Med Chem Lett 11: 447-9 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1RBM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50128912
PNG
((5Z,8Z,11Z)-2,2-Dimethyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)OCCO
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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>1.00E+4n/an/an/an/an/an/an/an/a



UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50128913
PNG
((5Z,8Z,11Z)-Icosa-5,8,11,14-tetraenoic acid 2-hydr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCO
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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UMR CNRS 5074

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand


Bioorg Med Chem Lett 13: 1977-80 (2003)


BindingDB Entry DOI: 10.7270/Q23X861T
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185017
PNG
((Z)-N-{(1R)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185014
PNG
((Z)-N-{(1S)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185008
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-]
Show InChI InChI=1S/C28H35IN4O5/c29-22-13-16-26(32-33-30)25(19-22)28(37)38-17-9-7-5-3-1-2-4-6-8-10-27(36)31-23(20-34)18-21-11-14-24(35)15-12-21/h5,7,11-16,19,23,34-35H,1-4,6,8-10,17-18,20H2,(H,31,36)/b7-5-/t23-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185015
PNG
((Z)-N-{(1S)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185020
PNG
((Z)-N-{(1R)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185017
PNG
((Z)-N-{(1R)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185020
PNG
((Z)-N-{(1R)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185013
PNG
((Z)-N-{(1S)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185013
PNG
((Z)-N-{(1S)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185012
PNG
((Z)-N-{(1R)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185011
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1ccccc1
Show InChI InChI=1S/C28H37NO5/c30-22-25(21-23-16-18-26(31)19-17-23)29-27(32)15-11-6-4-2-1-3-5-7-12-20-34-28(33)24-13-9-8-10-14-24/h5,7-10,13-14,16-19,25,30-31H,1-4,6,11-12,15,20-22H2,(H,29,32)/b7-5-/t25-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185008
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-]
Show InChI InChI=1S/C28H35IN4O5/c29-22-13-16-26(32-33-30)25(19-22)28(37)38-17-9-7-5-3-1-2-4-6-8-10-27(36)31-23(20-34)18-21-11-14-24(35)15-12-21/h5,7,11-16,19,23,34-35H,1-4,6,8-10,17-18,20H2,(H,31,36)/b7-5-/t23-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185014
PNG
((Z)-N-{(1S)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185012
PNG
((Z)-N-{(1R)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
PDB
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UniChem
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185011
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1ccccc1
Show InChI InChI=1S/C28H37NO5/c30-22-25(21-23-16-18-26(31)19-17-23)29-27(32)15-11-6-4-2-1-3-5-7-12-20-34-28(33)24-13-9-8-10-14-24/h5,7-10,13-14,16-19,25,30-31H,1-4,6,11-12,15,20-22H2,(H,29,32)/b7-5-/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185015
PNG
((Z)-N-{(1S)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair