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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'gianella-borradori' and Initial = 'm'   
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))
BDBM50040934
PNG
(CHEMBL3353833)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C24H17N5S/c25-14-18-10-4-5-11-19(18)16-30-24-26-23-22(27-28-24)20-12-6-7-13-21(20)29(23)15-17-8-2-1-3-9-17/h1-13H,15-16H2
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11n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040901
PNG
(CHEMBL3353822)
Show SMILES Brc1cccc2[nH]c3nc(SCc4ccccc4C#N)nnc3c12
Show InChI InChI=1S/C17H10BrN5S/c18-12-6-3-7-13-14(12)15-16(20-13)21-17(23-22-15)24-9-11-5-2-1-4-10(11)8-19/h1-7H,9H2,(H,20,21,23)
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23n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040944
PNG
(CHEMBL3354395)
Show SMILES O=C(C1CCCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C24H21N5OS/c25-14-17-10-4-5-11-18(17)15-31-24-26-22-21(27-28-24)19-12-6-7-13-20(19)29(22)23(30)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,15H2
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30n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040934
PNG
(CHEMBL3353833)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C24H17N5S/c25-14-18-10-4-5-11-19(18)16-30-24-26-23-22(27-28-24)20-12-6-7-13-21(20)29(23)15-17-8-2-1-3-9-17/h1-13H,15-16H2
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61n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040891
PNG
(CHEMBL3353812)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C16H11N5O2S/c22-21(23)13-8-4-1-5-10(13)9-24-16-18-15-14(19-20-16)11-6-2-3-7-12(11)17-15/h1-8H,9H2,(H,17,18,20)
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155n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040935
PNG
(CHEMBL3353834)
Show SMILES Fc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C23H17FN4S/c24-19-12-6-4-10-17(19)15-29-23-25-22-21(26-27-23)18-11-5-7-13-20(18)28(22)14-16-8-2-1-3-9-16/h1-13H,14-15H2
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215n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040948
PNG
(CHEMBL3354399)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)n(C(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H15N5O3S/c29-22(15-8-2-1-3-9-15)27-19-13-7-5-11-17(19)20-21(27)24-23(26-25-20)32-14-16-10-4-6-12-18(16)28(30)31/h1-13H,14H2
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235n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040935
PNG
(CHEMBL3353834)
Show SMILES Fc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C23H17FN4S/c24-19-12-6-4-10-17(19)15-29-23-25-22-21(26-27-23)18-11-5-7-13-20(18)28(22)14-16-8-2-1-3-9-16/h1-13H,14-15H2
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275n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040936
PNG
(CHEMBL3353835)
Show SMILES [O-][N+](=O)c1ccccc1Cn1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C24H16N6O2S/c25-13-16-7-1-2-9-18(16)15-33-24-26-23-22(27-28-24)19-10-4-6-12-21(19)29(23)14-17-8-3-5-11-20(17)30(31)32/h1-12H,14-15H2
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290n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040947
PNG
(CHEMBL3354398)
Show SMILES O=C(c1ccccc1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C24H15N5OS/c25-14-17-10-4-5-11-18(17)15-31-24-26-22-21(27-28-24)19-12-6-7-13-20(19)29(22)23(30)16-8-2-1-3-9-16/h1-13H,15H2
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300n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040943
PNG
(CHEMBL3353842)
Show SMILES O=C(C1CCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C23H19N5OS/c24-13-16-9-3-4-10-17(16)14-30-23-25-21-20(26-27-23)18-11-5-6-12-19(18)28(21)22(29)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,14H2
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320n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040880
PNG
(CHEMBL3353802)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11N5S/c18-9-11-5-1-2-6-12(11)10-23-17-20-16-15(21-22-17)13-7-3-4-8-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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355n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040945
PNG
(CHEMBL3354396)
Show SMILES COC(=O)CCC(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C22H17N5O3S/c1-30-19(29)11-10-18(28)27-17-9-5-4-8-16(17)20-21(27)24-22(26-25-20)31-13-15-7-3-2-6-14(15)12-23/h2-9H,10-11,13H2,1H3
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360n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040952
PNG
(CHEMBL3354403)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C25H14F3N5O2S/c26-25(27,28)35-18-11-9-15(10-12-18)23(34)33-20-8-4-3-7-19(20)21-22(33)30-24(32-31-21)36-14-17-6-2-1-5-16(17)13-29/h1-12H,14H2
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380n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040956
PNG
(CHEMBL3354407)
Show SMILES O=C(c1ccno1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C21H12N6O2S/c22-11-13-5-1-2-6-14(13)12-30-21-24-19-18(25-26-21)15-7-3-4-8-16(15)27(19)20(28)17-9-10-23-29-17/h1-10H,12H2
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450n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040955
PNG
(CHEMBL3354406)
Show SMILES O=C(c1ccco1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C22H13N5O2S/c23-12-14-6-1-2-7-15(14)13-30-22-24-20-19(25-26-22)16-8-3-4-9-17(16)27(20)21(28)18-10-5-11-29-18/h1-11H,13H2
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490n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040901
PNG
(CHEMBL3353822)
Show SMILES Brc1cccc2[nH]c3nc(SCc4ccccc4C#N)nnc3c12
Show InChI InChI=1S/C17H10BrN5S/c18-12-6-3-7-13-14(12)15-16(20-13)21-17(23-22-15)24-9-11-5-2-1-4-10(11)8-19/h1-7H,9H2,(H,20,21,23)
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3.20E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040955
PNG
(CHEMBL3354406)
Show SMILES O=C(c1ccco1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C22H13N5O2S/c23-12-14-6-1-2-7-15(14)13-30-22-24-20-19(25-26-22)16-8-3-4-9-17(16)27(20)21(28)18-10-5-11-29-18/h1-11H,13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040947
PNG
(CHEMBL3354398)
Show SMILES O=C(c1ccccc1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C24H15N5OS/c25-14-17-10-4-5-11-18(17)15-31-24-26-22-21(27-28-24)19-12-6-7-13-20(19)29(22)23(30)16-8-2-1-3-9-16/h1-13H,15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040943
PNG
(CHEMBL3353842)
Show SMILES O=C(C1CCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C23H19N5OS/c24-13-16-9-3-4-10-17(16)14-30-23-25-21-20(26-27-23)18-11-5-6-12-19(18)28(21)22(29)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,14H2
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040944
PNG
(CHEMBL3354395)
Show SMILES O=C(C1CCCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C24H21N5OS/c25-14-17-10-4-5-11-18(17)15-31-24-26-22-21(27-28-24)19-12-6-7-13-20(19)29(22)23(30)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,15H2
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040945
PNG
(CHEMBL3354396)
Show SMILES COC(=O)CCC(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C22H17N5O3S/c1-30-19(29)11-10-18(28)27-17-9-5-4-8-16(17)20-21(27)24-22(26-25-20)31-13-15-7-3-2-6-14(15)12-23/h2-9H,10-11,13H2,1H3
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040948
PNG
(CHEMBL3354399)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)n(C(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H15N5O3S/c29-22(15-8-2-1-3-9-15)27-19-13-7-5-11-17(19)20-21(27)24-23(26-25-20)32-14-16-10-4-6-12-18(16)28(30)31/h1-13H,14H2
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040952
PNG
(CHEMBL3354403)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C25H14F3N5O2S/c26-25(27,28)35-18-11-9-15(10-12-18)23(34)33-20-8-4-3-7-19(20)21-22(33)30-24(32-31-21)36-14-17-6-2-1-5-16(17)13-29/h1-12H,14H2
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040956
PNG
(CHEMBL3354407)
Show SMILES O=C(c1ccno1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C21H12N6O2S/c22-11-13-5-1-2-6-14(13)12-30-21-24-19-18(25-26-21)15-7-3-4-8-16(15)27(19)20(28)17-9-10-23-29-17/h1-10H,12H2
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040880
PNG
(CHEMBL3353802)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11N5S/c18-9-11-5-1-2-6-12(11)10-23-17-20-16-15(21-22-17)13-7-3-4-8-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040891
PNG
(CHEMBL3353812)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C16H11N5O2S/c22-21(23)13-8-4-1-5-10(13)9-24-16-18-15-14(19-20-16)11-6-2-3-7-12(11)17-15/h1-8H,9H2,(H,17,18,20)
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040936
PNG
(CHEMBL3353835)
Show SMILES [O-][N+](=O)c1ccccc1Cn1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C24H16N6O2S/c25-13-16-7-1-2-9-18(16)15-33-24-26-23-22(27-28-24)19-10-4-6-12-21(19)29(23)14-17-8-3-5-11-20(17)30(31)32/h1-12H,14-15H2
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040936
PNG
(CHEMBL3353835)
Show SMILES [O-][N+](=O)c1ccccc1Cn1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12
Show InChI InChI=1S/C24H16N6O2S/c25-13-16-7-1-2-9-18(16)15-33-24-26-23-22(27-28-24)19-10-4-6-12-21(19)29(23)14-17-8-3-5-11-20(17)30(31)32/h1-12H,14-15H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB1R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM40144
PNG
(2-Butylsulfanyl-9H-1,3,4,9-tetraaza-fluorene | 3-(...)
Show SMILES CCCCSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C13H14N4S/c1-2-3-8-18-13-15-12-11(16-17-13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3,(H,14,15,17)
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n/an/an/an/a 296n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040880
PNG
(CHEMBL3353802)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11N5S/c18-9-11-5-1-2-6-12(11)10-23-17-20-16-15(21-22-17)13-7-3-4-8-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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n/an/an/an/a 112n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040881
PNG
(CHEMBL3353803)
Show SMILES CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C10H8N4S/c1-15-10-12-9-8(13-14-10)6-4-2-3-5-7(6)11-9/h2-5H,1H3,(H,11,12,14)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040882
PNG
(CHEMBL3353804)
Show SMILES C(Sc1nnc2c(n1)[nH]c1ccccc21)C1CCCCC1
Show InChI InChI=1S/C16H18N4S/c1-2-6-11(7-3-1)10-21-16-18-15-14(19-20-16)12-8-4-5-9-13(12)17-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18,20)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040883
PNG
(CHEMBL587528 | GNF-Pf-1521 | GNF-Pf-472)
Show SMILES C(Sc1nnc2c(n1)[nH]c1ccccc21)c1ccccc1
Show InChI InChI=1S/C16H12N4S/c1-2-6-11(7-3-1)10-21-16-18-15-14(19-20-16)12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,17,18,20)
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040884
PNG
(CHEMBL3353805)
Show SMILES N#Cc1cccc(CSc2nnc3c(n2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C17H11N5S/c18-9-11-4-3-5-12(8-11)10-23-17-20-16-15(21-22-17)13-6-1-2-7-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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n/an/an/an/a 6.45E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040885
PNG
(CHEMBL3353806)
Show SMILES Fc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C16H11FN4S/c17-12-7-3-1-5-10(12)9-22-16-19-15-14(20-21-16)11-6-2-4-8-13(11)18-15/h1-8H,9H2,(H,18,19,21)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040886
PNG
(CHEMBL3353807)
Show SMILES Fc1ccc(CSc2nnc3c(n2)[nH]c2ccccc32)cc1
Show InChI InChI=1S/C16H11FN4S/c17-11-7-5-10(6-8-11)9-22-16-19-15-14(20-21-16)12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,18,19,21)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040887
PNG
(CHEMBL3353808)
Show SMILES Fc1cccc(F)c1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C16H10F2N4S/c17-11-5-3-6-12(18)10(11)8-23-16-20-15-14(21-22-16)9-4-1-2-7-13(9)19-15/h1-7H,8H2,(H,19,20,22)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040888
PNG
(CHEMBL3353809)
Show SMILES Clc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C16H11ClN4S/c17-12-7-3-1-5-10(12)9-22-16-19-15-14(20-21-16)11-6-2-4-8-13(11)18-15/h1-8H,9H2,(H,18,19,21)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040889
PNG
(CHEMBL3353810)
Show SMILES Clc1cccc(CSc2nnc3c(n2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C16H11ClN4S/c17-11-5-3-4-10(8-11)9-22-16-19-15-14(20-21-16)12-6-1-2-7-13(12)18-15/h1-8H,9H2,(H,18,19,21)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040890
PNG
(CHEMBL3353811)
Show SMILES Clc1ccc(CSc2nnc3c(n2)[nH]c2ccccc32)cc1
Show InChI InChI=1S/C16H11ClN4S/c17-11-7-5-10(6-8-11)9-22-16-19-15-14(20-21-16)12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,18,19,21)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040891
PNG
(CHEMBL3353812)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C16H11N5O2S/c22-21(23)13-8-4-1-5-10(13)9-24-16-18-15-14(19-20-16)11-6-2-3-7-12(11)17-15/h1-8H,9H2,(H,17,18,20)
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n/an/an/an/a 33n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040892
PNG
(CHEMBL3353813)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc32)cc1
Show InChI InChI=1S/C16H11N5O2S/c22-21(23)11-7-5-10(6-8-11)9-24-16-18-15-14(19-20-16)12-3-1-2-4-13(12)17-15/h1-8H,9H2,(H,17,18,20)
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n/an/an/an/a 617n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040893
PNG
(CHEMBL3353814)
Show SMILES FC(F)(F)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11F3N4S/c18-17(19,20)12-7-3-1-5-10(12)9-25-16-22-15-14(23-24-16)11-6-2-4-8-13(11)21-15/h1-8H,9H2,(H,21,22,24)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040894
PNG
(CHEMBL3353815)
Show SMILES FC(F)(F)Oc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11F3N4OS/c18-17(19,20)25-13-8-4-1-5-10(13)9-26-16-22-15-14(23-24-16)11-6-2-3-7-12(11)21-15/h1-8H,9H2,(H,21,22,24)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040895
PNG
(CHEMBL3353816)
Show SMILES CCOC(=O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C19H16N4O2S/c1-2-25-18(24)13-8-4-3-7-12(13)11-26-19-21-17-16(22-23-19)14-9-5-6-10-15(14)20-17/h3-10H,2,11H2,1H3,(H,20,21,23)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040896
PNG
(CHEMBL3353817)
Show SMILES OC(=O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H12N4O2S/c22-16(23)11-6-2-1-5-10(11)9-24-17-19-15-14(20-21-17)12-7-3-4-8-13(12)18-15/h1-8H,9H2,(H,22,23)(H,18,19,21)
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n/an/an/an/a 2.19E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040897
PNG
(CHEMBL3353818)
Show SMILES [O-][S+](Cc1ccccc1C#N)c1nnc2c(n1)[nH]c1ccccc21
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PubMed
n/an/an/an/a 3.55E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040898
PNG
(CHEMBL3353819)
Show SMILES Brc1cccc2c1[nH]c1nc(SCc3ccccc3C#N)nnc21
Show InChI InChI=1S/C17H10BrN5S/c18-13-7-3-6-12-14(13)20-16-15(12)22-23-17(21-16)24-9-11-5-2-1-4-10(11)8-19/h1-7H,9H2,(H,20,21,23)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040899
PNG
(CHEMBL3353820)
Show SMILES Brc1ccc2c(c1)[nH]c1nc(SCc3ccccc3C#N)nnc21
Show InChI InChI=1S/C17H10BrN5S/c18-12-5-6-13-14(7-12)20-16-15(13)22-23-17(21-16)24-9-11-4-2-1-3-10(11)8-19/h1-7H,9H2,(H,20,21,23)
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n/an/an/an/a>3.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
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