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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'kendall' and Initial = 'da'   
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))
BDBM21282
PNG
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)
Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
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36n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human cannabinoid receptors 2 using fluorescence assay


Bioorg Med Chem Lett 15: 3758-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.049
BindingDB Entry DOI: 10.7270/Q2930SQC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50169750
PNG
((2-Methyl-1-propyl-1H-indol-3-yl)-(3-nitro-naphtha...)
Show SMILES CCCn1c(C)c(C(=O)c2cc(cc3ccccc23)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C23H20N2O3/c1-3-12-24-15(2)22(19-10-6-7-11-21(19)24)23(26)20-14-17(25(27)28)13-16-8-4-5-9-18(16)20/h4-11,13-14H,3,12H2,1-2H3
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143n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human cannabinoid receptors 2 using fluorescence assay


Bioorg Med Chem Lett 15: 3758-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.049
BindingDB Entry DOI: 10.7270/Q2930SQC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50169752
PNG
((3-Amino-naphthalen-1-yl)-(2-methyl-1-propyl-1H-in...)
Show SMILES CCCn1c(C)c(C(=O)c2cc(N)cc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H22N2O/c1-3-12-25-15(2)22(19-10-6-7-11-21(19)25)23(26)20-14-17(24)13-16-8-4-5-9-18(16)20/h4-11,13-14H,3,12,24H2,1-2H3
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191n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human cannabinoid receptors 2 using fluorescence assay


Bioorg Med Chem Lett 15: 3758-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.049
BindingDB Entry DOI: 10.7270/Q2930SQC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50169751
PNG
(CHEMBL555145 | [4-(2-Methyl-1-propyl-1H-indole-3-c...)
Show SMILES CCCn1c(C)c(C(=O)c2cc(NC(=O)C[NH3+])cc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H25N3O2/c1-3-12-28-16(2)24(20-10-6-7-11-22(20)28)25(30)21-14-18(27-23(29)15-26)13-17-8-4-5-9-19(17)21/h4-11,13-14H,3,12,15,26H2,1-2H3,(H,27,29)/p+1
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420n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human cannabinoid receptors 2 using fluorescence assay


Bioorg Med Chem Lett 15: 3758-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.049
BindingDB Entry DOI: 10.7270/Q2930SQC
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50422596
PNG
(CHEMBL371569)
Show SMILES C[C@@H]1CCC2=C3CO[C@]2(O)[C@H]2O[C@]2(C)CC\C=C(C)\CC[C@]13C
Show InChI InChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3/b13-6+/t14-,17+,18+,19-,20+/m1/s1
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n/an/a 575n/an/an/an/an/an/a



The University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet


Bioorg Med Chem Lett 15: 3263-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.048
BindingDB Entry DOI: 10.7270/Q2V12639
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50422594
PNG
(CHEMBL191612)
Show SMILES C[C@@H]1CCC2=C3CO[C@]2(O)[C@@H]2O[C@@]2(C)CC\C=C(C)\CC[C@]13C
Show InChI InChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3/b13-6+/t14-,17-,18+,19+,20+/m1/s1
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n/an/a 575n/an/an/an/an/an/a



The University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet


Bioorg Med Chem Lett 15: 3263-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.048
BindingDB Entry DOI: 10.7270/Q2V12639
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50422597
PNG
(CHEMBL371351)
Show SMILES C[C@@H]1C[C@@H](O)C2=C3CO[C@]2(O)[C@@H]2O[C@@]2(C)CC\C=C(C)\CC[C@]13C
Show InChI InChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(24-19)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)21/h6,13,15,17,21-22H,5,7-11H2,1-4H3/b12-6+/t13-,15-,17-,18+,19+,20+/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



The University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet


Bioorg Med Chem Lett 15: 3263-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.048
BindingDB Entry DOI: 10.7270/Q2V12639
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50422595
PNG
(CHEMBL370068)
Show SMILES C[C@@H]1CC[C@]23O[C@@]22CO[C@]3(O)\C=C(C)\CC\C=C(C)\CC[C@]12C
Show InChI InChI=1S/C20H30O3/c1-14-6-5-7-15(2)12-20(21)18-11-9-16(3)17(4,10-8-14)19(18,23-18)13-22-20/h6,12,16,21H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t16-,17+,18+,19-,20-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



The University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet


Bioorg Med Chem Lett 15: 3263-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.048
BindingDB Entry DOI: 10.7270/Q2V12639
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50422599
PNG
(CHEMBL372012)
Show SMILES C[C@@H]1C[C@H]2O[C@@]3(C)CC\C=C(C)\CC[C@@]1(C)C1=C2[C@](O)(OC1)[C@H]3O
Show InChI InChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(21)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)24-19/h6,13,15,17,21-22H,5,7-11H2,1-4H3/b12-6+/t13-,15-,17+,18+,19+,20+/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



The University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet


Bioorg Med Chem Lett 15: 3263-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.048
BindingDB Entry DOI: 10.7270/Q2V12639
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50422598
PNG
(CHEMBL365357)
Show SMILES C[C@@H]1C[C@H](O)C2=C3CO[C@]2(O)[C@H]2O[C@]2(C)CC\C=C(C)\CC[C@]13C
Show InChI InChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(24-19)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)21/h6,13,15,17,21-22H,5,7-11H2,1-4H3/b12-6+/t13-,15+,17+,18+,19-,20+/m1/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



The University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet


Bioorg Med Chem Lett 15: 3263-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.048
BindingDB Entry DOI: 10.7270/Q2V12639
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50422593
PNG
(CHEMBL363216)
Show SMILES C[C@@H]1C[C@H]2O[C@@]3(C)CC\C=C(C)\CC[C@@]1(C)[C@]14CO[C@](O)([C@H]3O)[C@]21O4
Show InChI InChI=1S/C20H30O5/c1-12-6-5-8-17(4)15(21)20(22)19-14(24-17)10-13(2)16(3,9-7-12)18(19,25-19)11-23-20/h6,13-15,21-22H,5,7-11H2,1-4H3/b12-6+/t13-,14-,15+,16+,17+,18-,19+,20-/m1/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



The University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet


Bioorg Med Chem Lett 15: 3263-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.048
BindingDB Entry DOI: 10.7270/Q2V12639
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 P221A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 3.80n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 D338A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 2.5n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 I339A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 3.80n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 R340A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 2.40n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 L341A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 4.40n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 T344A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 2.40n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 H219A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 2.5n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 I218A)


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 2.5n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/a 2.10n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1 T344A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 2.90n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1 (CB1 L341A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 0.900n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1 (CB1 R340A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 1.60n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1 (CB1 I339A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 1.60n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1 (CB1 D338A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 1.30n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1 (CB1 P221A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 3.30n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1 (CB1 H219A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 1.20n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 1.80n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1 (CB1 I218A)


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/a 1.10n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)


Article DOI: 10.1074/jbc.M113.489153
BindingDB Entry DOI: 10.7270/Q2GQ6WM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)