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PubMed code 23227781

Compile data set for download or QSAR
Found 119 hits of Enzyme Inhibition Constant Data   
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))
BDBM50424479
PNG
(CHEMBL2316376)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C28H30N6O3/c1-37-25-14-13-24(26(32-25)28(36)29-17-19-7-3-2-4-8-19)31-27(35)23-12-11-20(18-34-16-15-30-33-34)21-9-5-6-10-22(21)23/h5-6,9-16,19H,2-4,7-8,17-18H2,1H3,(H,29,36)(H,31,35)
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n/an/a 0.850n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424491
PNG
(CHEMBL2316377)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C26H26N6O3/c1-35-23-12-11-22(24(30-23)26(34)27-15-17-5-4-6-17)29-25(33)21-10-9-18(16-32-14-13-28-31-32)19-7-2-3-8-20(19)21/h2-3,7-14,17H,4-6,15-16H2,1H3,(H,27,34)(H,29,33)
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n/an/a 0.970n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424478
PNG
(CHEMBL2316378)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)
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n/an/a 2.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
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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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424490
PNG
(CHEMBL2316380)
Show SMILES O=C(NCC1CCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C24H23N7O2/c32-23(29-22-21(25-10-11-26-22)24(33)27-14-16-4-3-5-16)20-9-8-17(15-31-13-12-28-30-31)18-6-1-2-7-19(18)20/h1-2,6-13,16H,3-5,14-15H2,(H,27,33)(H,26,29,32)
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n/an/a 4.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424477
PNG
(CHEMBL2316379)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424467
PNG
(CHEMBL2316397)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
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n/an/a 6.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424472
PNG
(CHEMBL2316386)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C28H33N3O6S/c1-38(35)18-20-9-10-23(22-8-3-2-7-21(20)22)27(33)30-24-11-12-25(37-16-15-36-14-13-32)31-26(24)28(34)29-17-19-5-4-6-19/h2-3,7-12,19,32H,4-6,13-18H2,1H3,(H,29,34)(H,30,33)
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n/an/a 7.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424470
PNG
(CHEMBL2316391)
Show SMILES O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424476
PNG
(CHEMBL2316381)
Show SMILES FC(F)(F)CCS(=O)(=O)Oc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C29H29F3N6O6S/c30-29(31,32)11-16-45(41,42)44-25-8-7-24(26(36-25)28(40)33-17-19-9-14-43-15-10-19)35-27(39)23-6-5-20(18-38-13-12-34-37-38)21-3-1-2-4-22(21)23/h1-8,12-13,19H,9-11,14-18H2,(H,33,40)(H,35,39)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424475
PNG
(CHEMBL2316382)
Show SMILES COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C26H29N3O5S/c1-33-23-10-9-22(24(29-23)26(31)27-15-17-11-13-34-14-12-17)28-25(30)21-8-7-18(16-35(2)32)19-5-3-4-6-20(19)21/h3-10,17H,11-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424464
PNG
(CHEMBL2316406)
Show SMILES COCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O3/c1-30-15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424489
PNG
(CHEMBL2316384)
Show SMILES C[S@@](=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12 |r|
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)/t33-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424467
PNG
(CHEMBL2316397)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424466
PNG
(CHEMBL2316403)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26)
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424468
PNG
(CHEMBL2316396)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424482
PNG
(CHEMBL2316401)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26)
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n/an/a 38n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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n/an/a 47n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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n/an/a 59n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424459
PNG
(CHEMBL2316387)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C25H24N6O2/c32-24(29-22-9-4-12-26-23(22)25(33)27-15-17-5-3-6-17)21-11-10-18(16-31-14-13-28-30-31)19-7-1-2-8-20(19)21/h1-2,4,7-14,17H,3,5-6,15-16H2,(H,27,33)(H,29,32)
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n/an/a 65n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424460
PNG
(CHEMBL2316410)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccn2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-10-4-13-27-24(23)26(33)28-16-18-6-3-7-18)22-12-11-19(17-31-15-5-14-29-31)20-8-1-2-9-21(20)22/h1-2,4-5,8-15,18H,3,6-7,16-17H2,(H,28,33)(H,30,32)
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n/an/a 69n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424466
PNG
(CHEMBL2316403)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26)
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n/an/a 82n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424469
PNG
(CHEMBL2316392)
Show SMILES O=C(NCC1CCCCC1)c1nccnc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N4O2/c28-22(19-12-6-10-17-9-4-5-11-18(17)19)27-21-20(24-13-14-25-21)23(29)26-15-16-7-2-1-3-8-16/h4-6,9-14,16H,1-3,7-8,15H2,(H,26,29)(H,25,27,28)
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n/an/a 91n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424465
PNG
(CHEMBL2316404)
Show SMILES COc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C22H22N4O3/c1-29-19-10-9-18(20(26-19)22(28)24-13-14-5-4-6-14)25-21(27)16-11-12-23-17-8-3-2-7-15(16)17/h2-3,7-12,14H,4-6,13H2,1H3,(H,24,28)(H,25,27)
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50424478
PNG
(CHEMBL2316378)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424470
PNG
(CHEMBL2316391)
Show SMILES O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28)
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424479
PNG
(CHEMBL2316376)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C28H30N6O3/c1-37-25-14-13-24(26(32-25)28(36)29-17-19-7-3-2-4-8-19)31-27(35)23-12-11-20(18-34-16-15-30-33-34)21-9-5-6-10-22(21)23/h5-6,9-16,19H,2-4,7-8,17-18H2,1H3,(H,29,36)(H,31,35)
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424471
PNG
(CHEMBL2316390)
Show SMILES Clc1ccc(NC(=O)c2cccc3ccccc23)c(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30)
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424463
PNG
(CHEMBL2316407)
Show SMILES CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-29(2)16-18-12-13-21(20-10-4-3-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-5-8-17/h3-4,6,9-14,17H,5,7-8,15-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424482
PNG
(CHEMBL2316401)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26)
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n/an/a 220n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424468
PNG
(CHEMBL2316396)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424481
PNG
(CHEMBL2316402)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cccnc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-9-2-7-15-8-3-11-22-18(15)16)25-17-10-4-12-23-19(17)21(27)24-13-14-5-1-6-14/h2-4,7-12,14H,1,5-6,13H2,(H,24,27)(H,25,26)
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424461
PNG
(CHEMBL2316409)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-9-4-12-28-24(23)26(33)29-15-18-5-3-6-18)22-11-10-19(16-31-14-13-27-17-31)20-7-1-2-8-21(20)22/h1-2,4,7-14,17-18H,3,5-6,15-16H2,(H,29,33)(H,30,32)
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424462
PNG
(CHEMBL2316408)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccc2)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c32-26(30-24-11-6-14-28-25(24)27(33)29-17-19-7-5-8-19)23-13-12-20(18-31-15-3-4-16-31)21-9-1-2-10-22(21)23/h1-4,6,9-16,19H,5,7-8,17-18H2,(H,29,33)(H,30,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50424478
PNG
(CHEMBL2316378)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424481
PNG
(CHEMBL2316402)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cccnc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-9-2-7-15-8-3-11-22-18(15)16)25-17-10-4-12-23-19(17)21(27)24-13-14-5-1-6-14/h2-4,7-12,14H,1,5-6,13H2,(H,24,27)(H,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424478
PNG
(CHEMBL2316378)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424472
PNG
(CHEMBL2316386)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C28H33N3O6S/c1-38(35)18-20-9-10-23(22-8-3-2-7-21(20)22)27(33)30-24-11-12-25(37-16-15-36-14-13-32)31-26(24)28(34)29-17-19-5-4-6-19/h2-3,7-12,19,32H,4-6,13-18H2,1H3,(H,29,34)(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424489
PNG
(CHEMBL2316384)
Show SMILES C[S@@](=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12 |r|
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)/t33-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50424477
PNG
(CHEMBL2316379)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50424477
PNG
(CHEMBL2316379)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424475
PNG
(CHEMBL2316382)
Show SMILES COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C26H29N3O5S/c1-33-23-10-9-22(24(29-23)26(31)27-15-17-11-13-34-14-12-17)28-25(30)21-8-7-18(16-35(2)32)19-5-3-4-6-20(19)21/h3-10,17H,11-16H2,1-2H3,(H,27,31)(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424459
PNG
(CHEMBL2316387)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C25H24N6O2/c32-24(29-22-9-4-12-26-23(22)25(33)27-15-17-5-3-6-17)21-11-10-18(16-31-14-13-28-30-31)19-7-1-2-8-20(19)21/h1-2,4,7-14,17H,3,5-6,15-16H2,(H,27,33)(H,29,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424477
PNG
(CHEMBL2316379)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424457
PNG
(CHEMBL2316389)
Show SMILES OCCOCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C25H28N4O5/c30-12-13-33-14-15-34-22-9-8-21(23(29-22)25(32)27-16-17-4-3-5-17)28-24(31)19-10-11-26-20-7-2-1-6-18(19)20/h1-2,6-11,17,30H,3-5,12-16H2,(H,27,32)(H,28,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424485
PNG
(CHEMBL2316398)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H23N3O5/c25-20(15-3-1-5-17-19(15)29-12-11-28-17)24-16-4-2-8-22-18(16)21(26)23-13-14-6-9-27-10-7-14/h1-5,8,14H,6-7,9-13H2,(H,23,26)(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424488
PNG
(CHEMBL2316393)
Show SMILES O=C(NCC1CCCCC1)c1cnccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(26-15-17-7-2-1-3-8-17)21-16-25-14-13-22(21)27-24(29)20-12-6-10-18-9-4-5-11-19(18)20/h4-6,9-14,16-17H,1-3,7-8,15H2,(H,26,28)(H,25,27,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424469
PNG
(CHEMBL2316392)
Show SMILES O=C(NCC1CCCCC1)c1nccnc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N4O2/c28-22(19-12-6-10-17-9-4-5-11-18(17)19)27-21-20(24-13-14-25-21)23(29)26-15-16-7-2-1-3-8-16/h4-6,9-14,16H,1-3,7-8,15H2,(H,26,29)(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50424475
PNG
(CHEMBL2316382)
Show SMILES COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C26H29N3O5S/c1-33-23-10-9-22(24(29-23)26(31)27-15-17-11-13-34-14-12-17)28-25(30)21-8-7-18(16-35(2)32)19-5-3-4-6-20(19)21/h3-10,17H,11-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424471
PNG
(CHEMBL2316390)
Show SMILES Clc1ccc(NC(=O)c2cccc3ccccc23)c(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424464
PNG
(CHEMBL2316406)
Show SMILES COCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O3/c1-30-15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424458
PNG
(CHEMBL2316388)
Show SMILES OCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424487
PNG
(CHEMBL2316394)
Show SMILES O=C(NCC1CCCCC1)c1ccncc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(26-15-17-7-2-1-3-8-17)21-13-14-25-16-22(21)27-24(29)20-12-6-10-18-9-4-5-11-19(18)20/h4-6,9-14,16-17H,1-3,7-8,15H2,(H,26,28)(H,27,29)
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n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50424472
PNG
(CHEMBL2316386)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C28H33N3O6S/c1-38(35)18-20-9-10-23(22-8-3-2-7-21(20)22)27(33)30-24-11-12-25(37-16-15-36-14-13-32)31-26(24)28(34)29-17-19-5-4-6-19/h2-3,7-12,19,32H,4-6,13-18H2,1H3,(H,29,34)(H,30,33)
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n/an/a 5.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424485
PNG
(CHEMBL2316398)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H23N3O5/c25-20(15-3-1-5-17-19(15)29-12-11-28-17)24-16-4-2-8-22-18(16)21(26)23-13-14-6-9-27-10-7-14/h1-5,8,14H,6-7,9-13H2,(H,23,26)(H,24,25)
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n/an/a 5.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50424472
PNG
(CHEMBL2316386)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C28H33N3O6S/c1-38(35)18-20-9-10-23(22-8-3-2-7-21(20)22)27(33)30-24-11-12-25(37-16-15-36-14-13-32)31-26(24)28(34)29-17-19-5-4-6-19/h2-3,7-12,19,32H,4-6,13-18H2,1H3,(H,29,34)(H,30,33)
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n/an/a 6.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424484
PNG
(CHEMBL2316399)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C20H20N4O3S/c25-19(14-3-4-15-17(10-14)28-12-23-15)24-16-2-1-7-21-18(16)20(26)22-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,26)(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424456
PNG
(CHEMBL2316109)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O3S/c1-31(30)15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50424475
PNG
(CHEMBL2316382)
Show SMILES COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C26H29N3O5S/c1-33-23-10-9-22(24(29-23)26(31)27-15-17-11-13-34-14-12-17)28-25(30)21-8-7-18(16-35(2)32)19-5-3-4-6-20(19)21/h3-10,17H,11-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 8.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424487
PNG
(CHEMBL2316394)
Show SMILES O=C(NCC1CCCCC1)c1ccncc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(26-15-17-7-2-1-3-8-17)21-13-14-25-16-22(21)27-24(29)20-12-6-10-18-9-4-5-11-19(18)20/h4-6,9-14,16-17H,1-3,7-8,15H2,(H,26,28)(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424488
PNG
(CHEMBL2316393)
Show SMILES O=C(NCC1CCCCC1)c1cnccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(26-15-17-7-2-1-3-8-17)21-16-25-14-13-22(21)27-24(29)20-12-6-10-18-9-4-5-11-19(18)20/h4-6,9-14,16-17H,1-3,7-8,15H2,(H,26,28)(H,25,27,29)
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n/an/a 9.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424483
PNG
(CHEMBL2316400)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2nccnc12
Show InChI InChI=1S/C21H21N5O3/c27-20(15-3-1-4-16-18(15)24-10-9-22-16)26-17-5-2-8-23-19(17)21(28)25-13-14-6-11-29-12-7-14/h1-5,8-10,14H,6-7,11-13H2,(H,25,28)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424457
PNG
(CHEMBL2316389)
Show SMILES OCCOCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C25H28N4O5/c30-12-13-33-14-15-34-22-9-8-21(23(29-22)25(32)27-16-17-4-3-5-17)28-24(31)19-10-11-26-20-7-2-1-6-18(19)20/h1-2,6-11,17,30H,3-5,12-16H2,(H,27,32)(H,28,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424486
PNG
(CHEMBL2316395)
Show SMILES O=C(NCC1CCCCC1)c1cccnc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(26-16-17-8-2-1-3-9-17)21-14-7-15-25-22(21)27-24(29)20-13-6-11-18-10-4-5-12-19(18)20/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,28)(H,25,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424480
PNG
(CHEMBL2316405)
Show SMILES OC(=O)c1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C24H23N3O5/c28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424476
PNG
(CHEMBL2316381)
Show SMILES FC(F)(F)CCS(=O)(=O)Oc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C29H29F3N6O6S/c30-29(31,32)11-16-45(41,42)44-25-8-7-24(26(36-25)28(40)33-17-19-9-14-43-15-10-19)35-27(39)23-6-5-20(18-38-13-12-34-37-38)21-3-1-2-4-22(21)23/h1-8,12-13,19H,9-11,14-18H2,(H,33,40)(H,35,39)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424486
PNG
(CHEMBL2316395)
Show SMILES O=C(NCC1CCCCC1)c1cccnc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(26-16-17-8-2-1-3-9-17)21-14-7-15-25-22(21)27-24(29)20-13-6-11-18-10-4-5-12-19(18)20/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,28)(H,25,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424483
PNG
(CHEMBL2316400)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2nccnc12
Show InChI InChI=1S/C21H21N5O3/c27-20(15-3-1-4-16-18(15)24-10-9-22-16)26-17-5-2-8-23-19(17)21(28)25-13-14-6-11-29-12-7-14/h1-5,8-10,14H,6-7,11-13H2,(H,25,28)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50424484
PNG
(CHEMBL2316399)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C20H20N4O3S/c25-19(14-3-4-15-17(10-14)28-12-23-15)24-16-2-1-7-21-18(16)20(26)22-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,26)(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50424478
PNG
(CHEMBL2316378)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)
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n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424460
PNG
(CHEMBL2316410)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccn2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-10-4-13-27-24(23)26(33)28-16-18-6-3-7-18)22-12-11-19(17-31-15-5-14-29-31)20-8-1-2-9-21(20)22/h1-2,4-5,8-15,18H,3,6-7,16-17H2,(H,28,33)(H,30,32)
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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424465
PNG
(CHEMBL2316404)
Show SMILES COc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C22H22N4O3/c1-29-19-10-9-18(20(26-19)22(28)24-13-14-5-4-6-14)25-21(27)16-11-12-23-17-8-3-2-7-15(16)17/h2-3,7-12,14H,4-6,13H2,1H3,(H,24,28)(H,25,27)
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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424461
PNG
(CHEMBL2316409)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-9-4-12-28-24(23)26(33)29-15-18-5-3-6-18)22-11-10-19(16-31-14-13-27-17-31)20-7-1-2-8-21(20)22/h1-2,4,7-14,17-18H,3,5-6,15-16H2,(H,29,33)(H,30,32)
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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50424475
PNG
(CHEMBL2316382)
Show SMILES COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C26H29N3O5S/c1-33-23-10-9-22(24(29-23)26(31)27-15-17-11-13-34-14-12-17)28-25(30)21-8-7-18(16-35(2)32)19-5-3-4-6-20(19)21/h3-10,17H,11-16H2,1-2H3,(H,27,31)(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424463
PNG
(CHEMBL2316407)
Show SMILES CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-29(2)16-18-12-13-21(20-10-4-3-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-5-8-17/h3-4,6,9-14,17H,5,7-8,15-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/a 4.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424458
PNG
(CHEMBL2316388)
Show SMILES OCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
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n/an/a 7.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424462
PNG
(CHEMBL2316408)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccc2)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c32-26(30-24-11-6-14-28-25(24)27(33)29-17-19-7-5-8-19)23-13-12-20(18-31-15-3-4-16-31)21-9-1-2-10-22(21)23/h1-4,6,9-16,19H,5,7-8,17-18H2,(H,29,33)(H,30,32)
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n/an/a 8.90E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424492
PNG
(CHEMBL2316110)
Show SMILES CS(=O)(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O4S/c1-32(30,31)15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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n/an/a 2.40E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424480
PNG
(CHEMBL2316405)
Show SMILES OC(=O)c1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C24H23N3O5/c28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424460
PNG
(CHEMBL2316410)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccn2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-10-4-13-27-24(23)26(33)28-16-18-6-3-7-18)22-12-11-19(17-31-15-5-14-29-31)20-8-1-2-9-21(20)22/h1-2,4-5,8-15,18H,3,6-7,16-17H2,(H,28,33)(H,30,32)
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n/an/an/an/a 23n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424471
PNG
(CHEMBL2316390)
Show SMILES Clc1ccc(NC(=O)c2cccc3ccccc23)c(c1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30)
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n/an/an/an/a 260n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424462
PNG
(CHEMBL2316408)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccc2)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c32-26(30-24-11-6-14-28-25(24)27(33)29-17-19-7-5-8-19)23-13-12-20(18-31-15-3-4-16-31)21-9-1-2-10-22(21)23/h1-4,6,9-16,19H,5,7-8,17-18H2,(H,29,33)(H,30,32)
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n/an/an/an/a 170n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424463
PNG
(CHEMBL2316407)
Show SMILES CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-29(2)16-18-12-13-21(20-10-4-3-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-5-8-17/h3-4,6,9-14,17H,5,7-8,15-16H2,1-2H3,(H,27,31)(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424466
PNG
(CHEMBL2316403)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26)
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n/an/an/an/a 79n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424490
PNG
(CHEMBL2316380)
Show SMILES O=C(NCC1CCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C24H23N7O2/c32-23(29-22-21(25-10-11-26-22)24(33)27-14-16-4-3-5-16)20-9-8-17(15-31-13-12-28-30-31)18-6-1-2-7-19(18)20/h1-2,6-13,16H,3-5,14-15H2,(H,27,33)(H,26,29,32)
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n/an/an/an/a 8.10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424456
PNG
(CHEMBL2316109)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O3S/c1-31(30)15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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n/an/an/an/a 5.90n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424457
PNG
(CHEMBL2316389)
Show SMILES OCCOCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C25H28N4O5/c30-12-13-33-14-15-34-22-9-8-21(23(29-22)25(32)27-16-17-4-3-5-17)28-24(31)19-10-11-26-20-7-2-1-6-18(19)20/h1-2,6-11,17,30H,3-5,12-16H2,(H,27,32)(H,28,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424467
PNG
(CHEMBL2316397)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424472
PNG
(CHEMBL2316386)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C28H33N3O6S/c1-38(35)18-20-9-10-23(22-8-3-2-7-21(20)22)27(33)30-24-11-12-25(37-16-15-36-14-13-32)31-26(24)28(34)29-17-19-5-4-6-19/h2-3,7-12,19,32H,4-6,13-18H2,1H3,(H,29,34)(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424461
PNG
(CHEMBL2316409)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-25(30-23-9-4-12-28-24(23)26(33)29-15-18-5-3-6-18)22-11-10-19(16-31-14-13-27-17-31)20-7-1-2-8-21(20)22/h1-2,4,7-14,17-18H,3,5-6,15-16H2,(H,29,33)(H,30,32)
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n/an/an/an/a 40n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424468
PNG
(CHEMBL2316396)
Show SMILES O=C(Nc1cccnc1C(=O)NCC1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
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n/an/an/an/a 81n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424464
PNG
(CHEMBL2316406)
Show SMILES COCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O3/c1-30-15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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n/an/an/an/a 5.90n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424469
PNG
(CHEMBL2316392)
Show SMILES O=C(NCC1CCCCC1)c1nccnc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N4O2/c28-22(19-12-6-10-17-9-4-5-11-18(17)19)27-21-20(24-13-14-25-21)23(29)26-15-16-7-2-1-3-8-16/h4-6,9-14,16H,1-3,7-8,15H2,(H,26,29)(H,25,27,28)
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n/an/an/an/a 480n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424475
PNG
(CHEMBL2316382)
Show SMILES COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C26H29N3O5S/c1-33-23-10-9-22(24(29-23)26(31)27-15-17-11-13-34-14-12-17)28-25(30)21-8-7-18(16-35(2)32)19-5-3-4-6-20(19)21/h3-10,17H,11-16H2,1-2H3,(H,27,31)(H,28,30)
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n/an/an/an/a 13n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424476
PNG
(CHEMBL2316381)
Show SMILES FC(F)(F)CCS(=O)(=O)Oc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C29H29F3N6O6S/c30-29(31,32)11-16-45(41,42)44-25-8-7-24(26(36-25)28(40)33-17-19-9-14-43-15-10-19)35-27(39)23-6-5-20(18-38-13-12-34-37-38)21-3-1-2-4-22(21)23/h1-8,12-13,19H,9-11,14-18H2,(H,33,40)(H,35,39)
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n/an/an/an/a 11n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424458
PNG
(CHEMBL2316388)
Show SMILES OCCOc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
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n/an/an/an/a 120n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424470
PNG
(CHEMBL2316391)
Show SMILES O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28)
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n/an/an/an/a 24n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424491
PNG
(CHEMBL2316377)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C26H26N6O3/c1-35-23-12-11-22(24(30-23)26(34)27-15-17-5-4-6-17)29-25(33)21-10-9-18(16-32-14-13-28-31-32)19-7-2-3-8-20(19)21/h2-3,7-14,17H,4-6,15-16H2,1H3,(H,27,34)(H,29,33)
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n/an/an/an/a 1.30n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424479
PNG
(CHEMBL2316376)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C28H30N6O3/c1-37-25-14-13-24(26(32-25)28(36)29-17-19-7-3-2-4-8-19)31-27(35)23-12-11-20(18-34-16-15-30-33-34)21-9-5-6-10-22(21)23/h5-6,9-16,19H,2-4,7-8,17-18H2,1H3,(H,29,36)(H,31,35)
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n/an/an/an/a 1.70n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424465
PNG
(CHEMBL2316404)
Show SMILES COc1ccc(NC(=O)c2ccnc3ccccc23)c(n1)C(=O)NCC1CCC1
Show InChI InChI=1S/C22H22N4O3/c1-29-19-10-9-18(20(26-19)22(28)24-13-14-5-4-6-14)25-21(27)16-11-12-23-17-8-3-2-7-15(16)17/h2-3,7-12,14H,4-6,13H2,1H3,(H,24,28)(H,25,27)
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n/an/an/an/a 16n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424489
PNG
(CHEMBL2316384)
Show SMILES C[S@@](=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12 |r|
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)/t33-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424478
PNG
(CHEMBL2316378)
Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)
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n/an/an/an/a 2.90n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424459
PNG
(CHEMBL2316387)
Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C25H24N6O2/c32-24(29-22-9-4-12-26-23(22)25(33)27-15-17-5-3-6-17)21-11-10-18(16-31-14-13-28-30-31)19-7-1-2-8-20(19)21/h1-2,4,7-14,17H,3,5-6,15-16H2,(H,27,33)(H,29,32)
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n/an/an/an/a 1.40n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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n/an/an/an/a 110n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424473
PNG
(CHEMBL2316385)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(30)14-16-9-10-19(18-8-3-2-7-17(16)18)22(28)27-21-20(24-11-12-25-21)23(29)26-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,26,29)(H,25,27,28)
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n/an/an/an/a 32n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424474
PNG
(CHEMBL2316383)
Show SMILES CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)
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n/an/an/an/a 87n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424477
PNG
(CHEMBL2316379)
Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
Show InChI InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50424492
PNG
(CHEMBL2316110)
Show SMILES CS(=O)(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12
Show InChI InChI=1S/C24H25N3O4S/c1-32(30,31)15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)
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n/an/an/an/a 260n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay


J Med Chem 56: 220-40 (2013)


Article DOI: 10.1021/jm301511h
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%