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PubMed code 23164658

Compile data set for download or QSAR
Found 78 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))
BDBM50261233
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3
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320n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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550n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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580n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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690n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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1.12E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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1.18E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394572
PNG
(CHEMBL2160219)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3
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1.79E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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2.57E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50261202
PNG
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3
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2.80E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394572
PNG
(CHEMBL2160219)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3
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3.12E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394581
PNG
(CHEMBL2160218)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261233
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394581
PNG
(CHEMBL2160218)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261202
PNG
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394563
PNG
(CHEMBL2160234)
Show SMILES COc1cc(OC)cc(c1)C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1
Show InChI InChI=1S/C38H41NO5/c1-39(27-28-15-8-7-9-16-28)21-12-5-4-6-13-22-43-31-18-14-17-29(23-31)38-36(34-19-10-11-20-35(34)44-38)37(40)30-24-32(41-2)26-33(25-30)42-3/h7-11,14-20,23-26H,4-6,12-13,21-22,27H2,1-3H3
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n/an/a 48n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394564
PNG
(CHEMBL2160227)
Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-16-7-5-8-17-28)24-13-3-2-4-14-25-39-31-21-15-20-30(26-31)36-34(32-22-11-12-23-33(32)40-36)35(38)29-18-9-6-10-19-29/h5-12,15-23,26H,2-4,13-14,24-25,27H2,1H3
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n/an/a 240n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394565
PNG
(CHEMBL2160226)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(cc2)-c2oc3ccccc3c2C(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C39H42N2O5/c1-28-16-18-30(19-17-28)37(42)36-34-14-7-8-15-35(34)46-38(36)31-20-22-32(23-21-31)44-25-10-6-4-5-9-24-41(3)27-29-12-11-13-33(26-29)45-39(43)40-2/h7-8,11-23,26H,4-6,9-10,24-25,27H2,1-3H3,(H,40,43)
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n/an/a 340n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394566
PNG
(CHEMBL2160228)
Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1cccc(C)c1)Cc1ccccc1
Show InChI InChI=1S/C37H39NO3/c1-28-15-13-18-30(25-28)36(39)35-33-21-9-10-22-34(33)41-37(35)31-19-14-20-32(26-31)40-24-12-5-3-4-11-23-38(2)27-29-16-7-6-8-17-29/h6-10,13-22,25-26H,3-5,11-12,23-24,27H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394565
PNG
(CHEMBL2160226)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(cc2)-c2oc3ccccc3c2C(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C39H42N2O5/c1-28-16-18-30(19-17-28)37(42)36-34-14-7-8-15-35(34)46-38(36)31-20-22-32(23-21-31)44-25-10-6-4-5-9-24-41(3)27-29-12-11-13-33(26-29)45-39(43)40-2/h7-8,11-23,26H,4-6,9-10,24-25,27H2,1-3H3,(H,40,43)
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n/an/a 880n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394571
PNG
(CHEMBL2160231)
Show SMILES COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1
Show InChI InChI=1S/C37H39NO4/c1-38(27-28-15-7-6-8-16-28)23-11-4-3-5-12-24-41-32-20-14-18-30(26-32)37-35(33-21-9-10-22-34(33)42-37)36(39)29-17-13-19-31(25-29)40-2/h6-10,13-22,25-26H,3-5,11-12,23-24,27H2,1-2H3
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n/an/a 1.37E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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n/an/a 1.81E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394573
PNG
(CHEMBL2160230)
Show SMILES COc1ccccc1C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1
Show InChI InChI=1S/C37H39NO4/c1-38(27-28-16-7-6-8-17-28)24-13-4-3-5-14-25-41-30-19-15-18-29(26-30)37-35(31-20-9-12-23-34(31)42-37)36(39)32-21-10-11-22-33(32)40-2/h6-12,15-23,26H,3-5,13-14,24-25,27H2,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394574
PNG
(CHEMBL2160233)
Show SMILES COc1ccc(cc1OC)C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1
Show InChI InChI=1S/C38H41NO5/c1-39(27-28-15-8-7-9-16-28)23-12-5-4-6-13-24-43-31-18-14-17-30(25-31)38-36(32-19-10-11-20-33(32)44-38)37(40)29-21-22-34(41-2)35(26-29)42-3/h7-11,14-22,25-26H,4-6,12-13,23-24,27H2,1-3H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394564
PNG
(CHEMBL2160227)
Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-16-7-5-8-17-28)24-13-3-2-4-14-25-39-31-21-15-20-30(26-31)36-34(32-22-11-12-23-33(32)40-36)35(38)29-18-9-6-10-19-29/h5-12,15-23,26H,2-4,13-14,24-25,27H2,1H3
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394575
PNG
(CHEMBL2160216)
Show SMILES CN(CCCCCCCOc1cccc(c1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-30(23-24-13-6-5-7-14-24)19-10-3-2-4-11-20-31-27-17-12-16-25(21-27)29-22-26-15-8-9-18-28(26)32-29/h5-9,12-18,21-22H,2-4,10-11,19-20,23H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394576
PNG
(CHEMBL2160232)
Show SMILES COc1cccc(C(=O)c2c(oc3ccccc23)-c2cccc(OCCCCCCCN(C)Cc3ccccc3)c2)c1OC
Show InChI InChI=1S/C38H41NO5/c1-39(27-28-16-8-7-9-17-28)24-12-5-4-6-13-25-43-30-19-14-18-29(26-30)37-35(31-20-10-11-22-33(31)44-37)36(40)32-21-15-23-34(41-2)38(32)42-3/h7-11,14-23,26H,4-6,12-13,24-25,27H2,1-3H3
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n/an/a 3.01E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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n/an/a 3.18E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394578
PNG
(CHEMBL2160213)
Show SMILES CN(CCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C27H29NO2/c1-28(21-22-10-4-2-5-11-22)18-8-3-9-19-29-25-16-14-23(15-17-25)27-20-24-12-6-7-13-26(24)30-27/h2,4-7,10-17,20H,3,8-9,18-19,21H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394579
PNG
(CHEMBL2160214)
Show SMILES CN(CCCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C30H35NO2/c1-31(24-25-13-7-6-8-14-25)21-11-4-2-3-5-12-22-32-28-19-17-26(18-20-28)30-23-27-15-9-10-16-29(27)33-30/h6-10,13-20,23H,2-5,11-12,21-22,24H2,1H3
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n/an/a 7.47E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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n/an/a 9.42E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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n/an/a 3.71E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394583
PNG
(CHEMBL2160229)
Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1
Show InChI InChI=1S/C37H39NO3/c1-28-20-22-30(23-21-28)36(39)35-33-18-9-10-19-34(33)41-37(35)31-16-13-17-32(26-31)40-25-12-5-3-4-11-24-38(2)27-29-14-7-6-8-15-29/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3
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n/an/a 4.39E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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n/an/a 5.30E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394584
PNG
(CHEMBL2160215)
Show SMILES CN(CCCCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C31H37NO2/c1-32(25-26-14-8-7-9-15-26)22-12-5-3-2-4-6-13-23-33-29-20-18-27(19-21-29)31-24-28-16-10-11-17-30(28)34-31/h7-11,14-21,24H,2-6,12-13,22-23,25H2,1H3
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n/an/a 5.56E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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n/an/a 6.01E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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n/an/a 6.77E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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n/an/a 8.12E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394572
PNG
(CHEMBL2160219)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3
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n/an/a 8.89E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394581
PNG
(CHEMBL2160218)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3
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n/an/a 8.91E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394566
PNG
(CHEMBL2160228)
Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1cccc(C)c1)Cc1ccccc1
Show InChI InChI=1S/C37H39NO3/c1-28-15-13-18-30(25-28)36(39)35-33-21-9-10-22-34(33)41-37(35)31-19-14-20-32(26-31)40-24-12-5-3-4-11-23-38(2)27-29-16-7-6-8-17-29/h6-10,13-22,25-26H,3-5,11-12,23-24,27H2,1-2H3
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n/an/a 1.02E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50394585
PNG
(CHEMBL2160212)
Show SMILES CN(CCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C25H25NO2/c1-26(19-20-8-3-2-4-9-20)16-7-17-27-23-14-12-21(13-15-23)25-18-22-10-5-6-11-24(22)28-25/h2-6,8-15,18H,7,16-17,19H2,1H3
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n/an/a 1.36E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50394578
PNG
(CHEMBL2160213)
Show SMILES CN(CCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C27H29NO2/c1-28(21-22-10-4-2-5-11-22)18-8-3-9-19-29-25-16-14-23(15-17-25)27-20-24-12-6-7-13-26(24)30-27/h2,4-7,10-17,20H,3,8-9,18-19,21H2,1H3
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n/an/a 2.15E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's met...


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50261202
PNG
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3
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n/an/an/an/a 6.95E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261202
PNG
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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n/an/an/an/a 2.27E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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n/an/an/an/a 4.40E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394572
PNG
(CHEMBL2160219)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3
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n/an/an/an/a 7.06E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394572
PNG
(CHEMBL2160219)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3
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n/an/an/an/a 7.74E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50261233
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3
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n/an/an/an/a 790n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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n/an/an/an/a 6.38E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261233
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394581
PNG
(CHEMBL2160218)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394581
PNG
(CHEMBL2160218)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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n/an/an/an/a 1.37E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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n/an/an/an/a 2.71E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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n/an/an/an/a 4.65E+3n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%