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Compile Data Set for Download or QSAR

Found 738 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 55'   
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
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156105
PNG
(CHEMBL3781437)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h6-7,15-16,20H,4-5,8-14H2,1-3H3
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n/an/an/an/a 0.400n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 0.510n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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n/an/an/an/a 0.600n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156103
PNG
(CHEMBL3781521)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34N4O3/c1-23(2,3)22(29)27-12-9-26(10-13-27)11-14-28-16-19-21(25-28)18-8-7-17(30-6)15-20(18)31-24(19,4)5/h7-8,15-16H,9-14H2,1-6H3
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n/an/an/an/a 0.690n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156108
PNG
(CHEMBL3781158)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 0.880n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156106
PNG
(CHEMBL3779954)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32N4O4/c1-27(2)23-18-31(28-26(23)22-10-9-21(33-3)17-24(22)35-27)16-13-29-11-14-30(15-12-29)25(32)19-34-20-7-5-4-6-8-20/h4-10,17-18H,11-16,19H2,1-3H3
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n/an/an/an/a 1.30n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156120
PNG
(CHEMBL3780056)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22-,23-,24+,25-,26-,27-/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156112
PNG
(CHEMBL3780748)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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n/an/an/an/a 6.40n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 8.20n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156104
PNG
(CHEMBL3780020)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
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n/an/an/an/a 8.70n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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n/an/an/an/a 16n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156106
PNG
(CHEMBL3779954)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32N4O4/c1-27(2)23-18-31(28-26(23)22-10-9-21(33-3)17-24(22)35-27)16-13-29-11-14-30(15-12-29)25(32)19-34-20-7-5-4-6-8-20/h4-10,17-18H,11-16,19H2,1-3H3
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n/an/an/an/a 18n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156119
PNG
(CHEMBL3781764)
Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3ccco3)C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 20n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156108
PNG
(CHEMBL3781158)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 20n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156103
PNG
(CHEMBL3781521)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34N4O3/c1-23(2,3)22(29)27-12-9-26(10-13-27)11-14-28-16-19-21(25-28)18-8-7-17(30-6)15-20(18)31-24(19,4)5/h7-8,15-16H,9-14H2,1-6H3
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n/an/an/an/a 22n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156105
PNG
(CHEMBL3781437)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h6-7,15-16,20H,4-5,8-14H2,1-3H3
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n/an/an/an/a 25n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156104
PNG
(CHEMBL3780020)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
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n/an/an/an/a 25n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156109
PNG
(CHEMBL3781297)
Show SMILES COc1ccc(cc1)N1CCN(CC(=O)NCn2ncc3c2-c2ccc(OC)cc2OC3(C)C)CC1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)23-16-29-32(26(23)22-10-9-21(35-4)15-24(22)36-27)18-28-25(33)17-30-11-13-31(14-12-30)19-5-7-20(34-3)8-6-19/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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n/an/an/an/a 27n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156115
PNG
(CHEMBL3781210)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3ccccc3)C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-28-31(25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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n/an/an/an/a 28n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156112
PNG
(CHEMBL3780748)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156116
PNG
(CHEMBL3781224)
Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3cccs3)C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156110
PNG
(CHEMBL3780529)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4cccc(C)c4C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-16-23-27(30-33)22-10-9-21(35-5)15-25(22)36-28(23,3)4/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50156114
PNG
(CHEMBL3781085)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-31(28-25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM50318484
PNG
(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GPR55


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61121
PNG
(9-(diethylamino)-5-benzo[a]phenoxazinone | 9-(diet...)
Show SMILES CCN(CC)c1ccc2nc3c(cc(=O)c4ccccc34)oc2c1
Show InChI InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61049
PNG
(MLS000569095 | N-[4-(4-Fluoro-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1
Show InChI InChI=1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61076
PNG
(MLS000408840 | N-(2,4-dimethylphenyl)-2-[2-[(2-mor...)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2N=NCc2sc(nc2-c2ccccc2)N2CCOCC2)[N+]([O-])=O)c(C)c1
Show InChI InChI=1S/C28H28N6O5S2/c1-19-8-10-23(20(2)16-19)32-41(37,38)26-17-22(34(35)36)9-11-24(26)31-29-18-25-27(21-6-4-3-5-7-21)30-28(40-25)33-12-14-39-15-13-33/h3-11,16-17,32H,12-15,18H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61009
PNG
((1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetra...)
Show SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21
Show InChI InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61118
PNG
(1-(2-Methoxy-phenyl)-3-(4-nitro-phenyl)-5-phenyl-4...)
Show SMILES COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H19N3O3/c1-28-22-10-6-5-9-20(22)24-21(17-7-3-2-4-8-17)15-19(23-24)16-11-13-18(14-12-16)25(26)27/h2-14,21H,15H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM31372
PNG
(3-(2-furanyl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihyd...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1
Show InChI InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61031
PNG
(MLS000540201 | N,N-diallyl-4-({[([1,1'-bipheny...)
Show SMILES C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O3S2/c1-3-18-29(19-4-2)34(31,32)24-16-14-23(15-17-24)27-26(33)28-25(30)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h3-17H,1-2,18-19H2,(H2,27,28,30,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61033
PNG
((E)-3-(2-methoxyphenyl)-N-[[4-[methyl(phenyl)sulfa...)
Show SMILES COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C24H23N3O4S2/c1-27(20-9-4-3-5-10-20)33(29,30)21-15-13-19(14-16-21)25-24(32)26-23(28)17-12-18-8-6-7-11-22(18)31-2/h3-17H,1-2H3,(H2,25,26,28,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61151
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-methyl-...)
Show SMILES C\C(C=NNC(=O)c1nnn(c1CN1CCCCC1)-c1nonc1N)=C/c1ccccc1
Show InChI InChI=1S/C21H25N9O2/c1-15(12-16-8-4-2-5-9-16)13-23-25-21(31)18-17(14-29-10-6-3-7-11-29)30(28-24-18)20-19(22)26-32-27-20/h2,4-5,8-9,12-13H,3,6-7,10-11,14H2,1H3,(H2,22,26)(H,25,31)/b15-12+,23-13?
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61095
PNG
(3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61028
PNG
(3-amino-4-(2-methylpropylthio)-6-nitro-1-benzothio...)
Show SMILES CCOC(=O)c1sc2cc(cc(SCC(C)C)c2c1N)[N+]([O-])=O
Show InChI InChI=1S/C15H18N2O4S2/c1-4-21-15(18)14-13(16)12-10(22-7-8(2)3)5-9(17(19)20)6-11(12)23-14/h5-6,8H,4,7,16H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61072
PNG
(MLS000394288 | N-(2-methoxy-5-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-17-7-6-15(29(24,25)22-8-10-27-11-9-22)13-16(17)21-20(23)19-12-14-4-2-3-5-18(14)28-19/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61136
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino...)
Show SMILES CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccccc1
Show InChI InChI=1S/C22H29N9O2/c1-4-11-30(12-5-2)15-18-19(25-29-31(18)21-20(23)27-33-28-21)22(32)26-24-14-16(3)13-17-9-7-6-8-10-17/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H2,23,27)(H,26,32)/b16-13-,24-14?
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM44483
PNG
((5Z)-3-butan-2-yl-5-[[9-methyl-4-oxidanylidene-2-(...)
Show SMILES CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
Show InChI InChI=1S/C23H30N4O3S2/c1-6-16(5)27-22(29)18(32-23(27)31)13-17-19(24-10-8-12-30-14(2)3)25-20-15(4)9-7-11-26(20)21(17)28/h7,9,11,13-14,16,24H,6,8,10,12H2,1-5H3/b18-13-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61041
PNG
(4-phenyl-N-[[4-(propan-2-ylsulfamoyl)anilino]-sulf...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3S2/c1-16(2)26-31(28,29)21-14-12-20(13-15-21)24-23(30)25-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16,26H,1-2H3,(H2,24,25,27,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61065
PNG
(2-[[2-(N-mesylanilino)acetyl]amino]-4,5,6,7-tetrah...)
Show SMILES COC(=O)c1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)sc2CCCCc12
Show InChI InChI=1S/C19H22N2O5S2/c1-26-19(23)17-14-10-6-7-11-15(14)27-18(17)20-16(22)12-21(28(2,24)25)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,20,22)
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n/an/an/an/a 577n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61132
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[(Z)-2-methyl-...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C\C(C)=C/c2ccccc2)CC1
Show InChI InChI=1S/C22H27N9O2/c1-15-8-10-30(11-9-15)14-18-19(25-29-31(18)21-20(23)27-33-28-21)22(32)26-24-13-16(2)12-17-6-4-3-5-7-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H2,23,27)(H,26,32)/b16-12-,24-13?
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n/an/an/an/a 601n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61143
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino...)
Show SMILES CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccco1
Show InChI InChI=1S/C20H27N9O3/c1-4-8-28(9-5-2)13-16-17(23-27-29(16)19-18(21)25-32-26-19)20(30)24-22-12-14(3)11-15-7-6-10-31-15/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H2,21,25)(H,24,30)/b14-11-,22-12?
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61054
PNG
(MLS000579482 | N-(2-methoxy-3-dibenzofuranyl)-2-(p...)
Show SMILES COc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc21
Show InChI InChI=1S/C21H17NO3S/c1-24-20-11-16-15-9-5-6-10-18(15)25-19(16)12-17(20)22-21(23)13-26-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61094
PNG
(MLS000760658 | N,N-dimethyl-3-[4-(4-nitrophenyl)pi...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H29N5O5S/c1-24(2)34(32,33)20-9-10-22(26-11-3-4-12-26)21(17-20)23(29)27-15-13-25(14-16-27)18-5-7-19(8-6-18)28(30)31/h5-10,17H,3-4,11-16H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM44505
PNG
((5Z)-3-butyl-2-sulfanylidene-5-[(2Z)-2-(1,3,3-trim...)
Show SMILES CCCCN1C(=S)S\C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O
Show InChI InChI=1S/C20H24N2OS2/c1-5-6-13-22-18(23)16(25-19(22)24)11-12-17-20(2,3)14-9-7-8-10-15(14)21(17)4/h7-12H,5-6,13H2,1-4H3/b16-11-,17-12-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM39984
PNG
(6-[5-(2,5-dichlorophenyl)-2-furanyl]-3-ethyl-7H-[1...)
Show SMILES CCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C16H12Cl2N4OS/c1-2-15-19-20-16-22(15)21-12(8-24-16)14-6-5-13(23-14)10-7-9(17)3-4-11(10)18/h3-7H,2,8H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61068
PNG
(2-(4-acetamidophenyl)sulfanyl-N-(2-methoxydibenzof...)
Show SMILES COc1cc2c(cc1NC(=O)C(C)Sc1ccc(NC(C)=O)cc1)oc1ccccc21
Show InChI InChI=1S/C24H22N2O4S/c1-14(31-17-10-8-16(9-11-17)25-15(2)27)24(28)26-20-13-22-19(12-23(20)29-3)18-6-4-5-7-21(18)30-22/h4-14H,1-3H3,(H,25,27)(H,26,28)
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n/an/an/an/a 806n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM52675
PNG
(5-(2-fluorobenzyl)-7,8-dimethoxy-3-phenyl-pyrazolo...)
Show SMILES COc1cc2n(Cc3ccccc3F)cc3c(nnc3c2cc1OC)-c1ccccc1
Show InChI InChI=1S/C25H20FN3O2/c1-30-22-12-18-21(13-23(22)31-2)29(14-17-10-6-7-11-20(17)26)15-19-24(27-28-25(18)19)16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61043
PNG
(10-[(1,3-benzothiazol-2-ylthio)acetyl]-2-chloro-10...)
Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C21H13ClN2OS3/c22-13-9-10-19-16(11-13)24(15-6-2-4-8-18(15)27-19)20(25)12-26-21-23-14-5-1-3-7-17(14)28-21/h1-11H,12H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61085
PNG
(2-methyl-N-(4-phenylmethoxyphenyl)-3-furancarboxam...)
Show SMILES Cc1occc1C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO3/c1-14-18(11-12-22-14)19(21)20-16-7-9-17(10-8-16)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
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