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Compile Data Set for Download or QSAR

Found 15 hits from DiSCAFF   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121665
PNG
(3-[((8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-pr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCC(O)CO
Show InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25)21-24/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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2.50E+3n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121665
PNG
(3-[((8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-pr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCC(O)CO
Show InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25)21-24/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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5.00E+3n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121667
PNG
(2-[((6Z,9Z,12Z)-Octadeca-6,9,12-trienyl)oxy]-propa...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCOC(CO)CO
Show InChI InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h6-7,9-10,12-13,21-23H,2-5,8,11,14-20H2,1H3/b7-6-,10-9-,13-12-
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1.39E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121672
PNG
(2-[((Z)-Octadeca-9,12-dienyl)oxy]-propane-1,3-diol...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCOC(CO)CO
Show InChI InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h6-7,9-10,21-23H,2-5,8,11-20H2,1H3/b7-6-,10-9-
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2.25E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121673
PNG
(2-[((Z)-Octadec-9-enyl)oxy]-propane-1,3-diol | CHE...)
Show SMILES CCCCCCCC\C=C/CCCCCCCCOC(CO)CO
Show InChI InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h9-10,21-23H,2-8,11-20H2,1H3/b10-9-
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2.56E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121671
PNG
(2-[12-((1R,2S)-2-Octyl-cyclopropyl)-dodecyloxy]-pr...)
Show SMILES CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCOC(CO)CO
Show InChI InChI=1S/C26H52O3/c1-2-3-4-5-12-15-18-24-21-25(24)19-16-13-10-8-6-7-9-11-14-17-20-29-26(22-27)23-28/h24-28H,2-23H2,1H3/t24-,25+/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121674
PNG
(2-Octadec-11-en-9-ynyloxy-propane-1,3-diol | CHEMB...)
Show SMILES CCCCCC\C=C\C#CCCCCCCCCOC(CO)CO
Show InChI InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h7-8,21-23H,2-6,11-20H2,1H3/b8-7+
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A at 50 uM


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121675
PNG
(2-[8-((1S,2R)-2-Octyl-cyclopropyl)-octyloxy]-propa...)
Show SMILES CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCOC(CO)CO
Show InChI InChI=1S/C22H44O3/c1-2-3-4-5-8-11-14-20-17-21(20)15-12-9-6-7-10-13-16-25-22(18-23)19-24/h20-24H,2-19H2,1H3/t20-,21+/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121676
PNG
(2-Hexadecyloxy-propane-1,3-diol | CHEMBL141587)
Show SMILES CCCCCCCCCCCCCCCCOC(CO)CO
Show InChI InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(17-20)18-21/h19-21H,2-18H2,1H3
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121677
PNG
(2-(3,7-Dimethyl-octa-2,6-dienyloxy)-propane-1,3-di...)
Show SMILES CC(C)=CCC\C(C)=C\COC(CO)CO
Show InChI InChI=1S/C13H24O3/c1-11(2)5-4-6-12(3)7-8-16-13(9-14)10-15/h5,7,13-15H,4,6,8-10H2,1-3H3/b12-7+
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121669
PNG
(2-(3,7,11-Trimethyl-dodeca-2,6,10-trienyloxy)-prop...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COC(CO)CO
Show InChI InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-18(13-19)14-20/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121668
PNG
(2-[10-((1S,2R)-2-Hexyl-cyclopropyl)-dec-9-ynyloxy]...)
Show SMILES CCCCCC[C@@H]1C[C@@H]1C#CCCCCCCCCOC(CO)CO
Show InChI InChI=1S/C22H40O3/c1-2-3-4-11-14-20-17-21(20)15-12-9-7-5-6-8-10-13-16-25-22(18-23)19-24/h20-24H,2-11,13-14,16-19H2,1H3/t20-,21+/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121666
PNG
(2-[((Z)-Docos-13-enyl)oxy]-propane-1,3-diol | CHEM...)
Show SMILES CCCCCCCC\C=C/CCCCCCCCCCCCOC(CO)CO
Show InChI InChI=1S/C25H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-25(23-26)24-27/h9-10,25-27H,2-8,11-24H2,1H3/b10-9-
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A at 50 uM


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121664
PNG
(3-(3,7-Dimethyl-octa-2,6-dienyloxy)-propane-1,2-di...)
Show SMILES CC(C)=CCC\C(C)=C\COCC(O)CO
Show InChI InChI=1S/C13H24O3/c1-11(2)5-4-6-12(3)7-8-16-10-13(15)9-14/h5,7,13-15H,4,6,8-10H2,1-3H3/b12-7+
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50121670
PNG
(3-Hexadecyloxy-propane-1,2-diol | CHEMBL142186)
Show SMILES CCCCCCCCCCCCCCCCOCC(O)CO
Show InChI InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3
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>5.00E+4n/an/an/an/an/an/an/an/a



DiSCAFF

Curated by ChEMBL


Assay Description
Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]-SR-141,716A


Bioorg Med Chem Lett 13: 43-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00839-9
BindingDB Entry DOI: 10.7270/Q21C1W70
More data for this
Ligand-Target Pair