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PubMed code 28673732

Compile data set for download or QSAR
Found 31 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
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269006
PNG
(CHEMBL4089327)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cnc3ccccc3c2)cc1
Show InChI InChI=1S/C24H20N4O3S2/c1-28(20-8-3-2-4-9-20)33(30,31)21-13-11-19(12-14-21)26-24(32)27-23(29)18-15-17-7-5-6-10-22(17)25-16-18/h2-16H,1H3,(H2,26,27,29,32)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269026
PNG
(CHEMBL4062249)
Show SMILES Oc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc4cccnc4c3)cc2)cc1
Show InChI InChI=1S/C30H24N4O4S2/c35-26-14-8-21(9-15-26)20-34(25-6-2-1-3-7-25)40(37,38)27-16-12-24(13-17-27)32-30(39)33-29(36)23-11-10-22-5-4-18-31-28(22)19-23/h1-19,35H,20H2,(H2,32,33,36,39)
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n/an/an/an/a 500n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269019
PNG
(CHEMBL1532240)
Show SMILES COc1ccccc1\C=C\C(=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)/b17-12+
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n/an/an/an/a 110n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at HA-epitope-tagged variant of GPR55E with serine enhanced C terminus (unknown origin) expressed in human U2OS cells assessed as in...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		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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n/an/an/an/a 160n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at HA-epitope-tagged variant of GPR55E with serine enhanced C terminus (unknown origin) expressed in human U2OS cells assessed as in...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269010
PNG
(CHEMBL4077189)
Show SMILES OCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CCO)ccc3c2)cc1
Show InChI InChI=1S/C28H27N3O5S2/c32-16-14-20-6-7-22-19-23(9-8-21(22)18-20)27(34)30-28(37)29-24-10-12-26(13-11-24)38(35,36)31(15-17-33)25-4-2-1-3-5-25/h1-13,18-19,32-33H,14-17H2,(H2,29,30,34,37)
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269021
PNG
(CHEMBL4093407)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C30H27N3O5S2/c1-38-28-13-6-5-9-23(28)14-19-29(35)32-30(39)31-24-15-17-27(18-16-24)40(36,37)33(25-10-3-2-4-11-25)21-22-8-7-12-26(34)20-22/h2-20,34H,21H2,1H3,(H2,31,32,35,39)/b19-14+
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269023
PNG
(CHEMBL4101162)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CO)o1)c1ccccc1
Show InChI InChI=1S/C29H27N3O6S2/c1-37-27-10-6-5-7-21(27)11-18-28(34)31-29(39)30-22-12-16-26(17-13-22)40(35,36)32(23-8-3-2-4-9-23)19-24-14-15-25(20-33)38-24/h2-18,33H,19-20H2,1H3,(H2,30,31,34,39)/b18-11+
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n/an/an/an/a 100n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		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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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at human brain CB1 receptor expressed in U2OS cells assessed as increase in beta arrestin recruitment after 60 mins by fluorescence ...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50269019
PNG
(CHEMBL1532240)
Show SMILES COc1ccccc1\C=C\C(=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)/b17-12+
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in U2OS cells assessed as increase in GFP-tagged beta arrestin recruitment after 75 mins by fluoresc...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		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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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in U2OS cells assessed as increase in GFP-tagged beta arrestin recruitment after 75 mins by fluoresc...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269029
PNG
(CHEMBL4099605)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)c1ccccc1
Show InChI InChI=1S/C29H26N4O4S2/c1-37-27-10-6-5-7-23(27)11-16-28(34)32-29(38)31-24-12-14-26(15-13-24)39(35,36)33(25-8-3-2-4-9-25)21-22-17-19-30-20-18-22/h2-20H,21H2,1H3,(H2,31,32,34,38)/b16-11+
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n/an/an/an/a 300n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		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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n/an/an/an/a 260n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at HA-epitope-tagged variant of GPR55E with serine enhanced C terminus (unknown origin) expressed in human U2OS cells assessed as in...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269022
PNG
(CHEMBL4074415)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1O)c1ccccc1
Show InChI InChI=1S/C30H27N3O5S2/c1-38-28-14-8-6-9-22(28)15-20-29(35)32-30(39)31-24-16-18-26(19-17-24)40(36,37)33(25-11-3-2-4-12-25)21-23-10-5-7-13-27(23)34/h2-20,34H,21H2,1H3,(H2,31,32,35,39)/b20-15+
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269019
PNG
(CHEMBL1532240)
Show SMILES COc1ccccc1\C=C\C(=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)/b17-12+
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n/an/an/an/a 400n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50269019
PNG
(CHEMBL1532240)
Show SMILES COc1ccccc1\C=C\C(=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)/b17-12+
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at human brain CB1 receptor expressed in U2OS cells assessed as increase in beta arrestin recruitment after 60 mins by fluorescence ...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269009
PNG
(CHEMBL4099471)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cccnc3c2)cc1
Show InChI InChI=1S/C24H20N4O3S2/c1-28(20-7-3-2-4-8-20)33(30,31)21-13-11-19(12-14-21)26-24(32)27-23(29)18-10-9-17-6-5-15-25-22(17)16-18/h2-16H,1H3,(H2,26,27,29,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269013
PNG
(CHEMBL4065795)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C30H27N3O5S2/c1-38-28-10-6-5-7-23(28)13-20-29(35)32-30(39)31-24-14-18-27(19-15-24)40(36,37)33(25-8-3-2-4-9-25)21-22-11-16-26(34)17-12-22/h2-20,34H,21H2,1H3,(H2,31,32,35,39)/b20-13+
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n/an/an/an/a 500n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269020
PNG
(CHEMBL4081455)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CO)ccc3c2)cc1
Show InChI InChI=1S/C26H23N3O4S2/c1-29(23-5-3-2-4-6-23)35(32,33)24-13-11-22(12-14-24)27-26(34)28-25(31)21-10-9-19-15-18(17-30)7-8-20(19)16-21/h2-16,30H,17H2,1H3,(H2,27,28,31,34)
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n/an/an/an/a 4.00E+3n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269025
PNG
(CHEMBL4070868)
Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)c1ccccc1)c1ccc2cccnc2c1
Show InChI InChI=1S/C29H23N5O3S2/c35-28(23-9-8-22-5-4-16-31-27(22)19-23)33-29(38)32-24-10-12-26(13-11-24)39(36,37)34(25-6-2-1-3-7-25)20-21-14-17-30-18-15-21/h1-19H,20H2,(H2,32,33,35,38)
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n/an/an/an/a 900n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		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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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at human brain CB1 receptor expressed in U2OS cells assessed as increase in beta arrestin recruitment after 60 mins by fluorescence ...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269007
PNG
(CHEMBL4061164)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H22N4O5S2/c1-14-15(2)25-31-21(14)26-33(28,29)18-11-9-17(10-12-18)23-22(32)24-20(27)13-8-16-6-4-5-7-19(16)30-3/h4-13,26H,1-3H3,(H2,23,24,27,32)/b13-8+
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269008
PNG
(CHEMBL4062006)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)NCC(O)CO
Show InChI InChI=1S/C20H23N3O6S2/c1-29-18-5-3-2-4-14(18)6-11-19(26)23-20(30)22-15-7-9-17(10-8-15)31(27,28)21-12-16(25)13-24/h2-11,16,21,24-25H,12-13H2,1H3,(H2,22,23,26,30)/b11-6+
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269012
PNG
(CHEMBL4092460)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1
Show InChI InChI=1S/C25H25N3O5S2/c1-33-23-10-6-5-7-19(23)11-16-24(30)27-25(34)26-20-12-14-22(15-13-20)35(31,32)28(17-18-29)21-8-3-2-4-9-21/h2-16,29H,17-18H2,1H3,(H2,26,27,30,34)/b16-11+
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n/an/an/an/a 700n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269017
PNG
(CHEMBL4090040)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C19H21N3O5S2/c1-27-17-5-3-2-4-14(17)6-11-18(24)22-19(28)21-15-7-9-16(10-8-15)29(25,26)20-12-13-23/h2-11,20,23H,12-13H2,1H3,(H2,21,22,24,28)/b11-6+
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269024
PNG
(CHEMBL4060069)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CCO)ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O4S2/c1-30(24-5-3-2-4-6-24)36(33,34)25-13-11-23(12-14-25)28-27(35)29-26(32)22-10-9-20-17-19(15-16-31)7-8-21(20)18-22/h2-14,17-18,31H,15-16H2,1H3,(H2,28,29,32,35)
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n/an/an/an/a 300n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269027
PNG
(CHEMBL4096115)
Show SMILES OCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cccnc3c2)cc1
Show InChI InChI=1S/C25H22N4O4S2/c30-16-15-29(21-6-2-1-3-7-21)35(32,33)22-12-10-20(11-13-22)27-25(34)28-24(31)19-9-8-18-5-4-14-26-23(18)17-19/h1-14,17,30H,15-16H2,(H2,27,28,31,34)
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n/an/an/an/a 200n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		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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n/an/an/an/a>3.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in U2OS cells assessed as increase in GFP-tagged beta arrestin recruitment after 75 mins by fluoresc...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269028
PNG
(CHEMBL4078062)
Show SMILES OCCc1ccc2cc(ccc2c1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CO)o1)c1ccccc1
Show InChI InChI=1S/C32H29N3O6S2/c36-17-16-22-6-7-24-19-25(9-8-23(24)18-22)31(38)34-32(42)33-26-10-14-30(15-11-26)43(39,40)35(27-4-2-1-3-5-27)20-28-12-13-29(21-37)41-28/h1-15,18-19,36-37H,16-17,20-21H2,(H2,33,34,38,42)
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n/an/an/an/a 6.00E+3n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269030
PNG
(CHEMBL4083967)
Show SMILES OCc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc4cccnc4c3)cc2)o1
Show InChI InChI=1S/C29H24N4O5S2/c34-19-25-13-12-24(38-25)18-33(23-6-2-1-3-7-23)40(36,37)26-14-10-22(11-15-26)31-29(39)32-28(35)21-9-8-20-5-4-16-30-27(20)17-21/h1-17,34H,18-19H2,(H2,31,32,35,39)
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n/an/an/an/a 600n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269011
PNG
(CHEMBL4063042)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H21N3O4S2/c1-30-21-10-6-5-7-17(21)11-16-22(27)25-23(31)24-18-12-14-20(15-13-18)32(28,29)26-19-8-3-2-4-9-19/h2-16,26H,1H3,(H2,24,25,27,31)/b16-11+
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n/an/an/an/a 600n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50269018
PNG
(CHEMBL4084711)
Show SMILES COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccncc1
Show InChI InChI=1S/C23H22N4O4S2/c1-27(19-13-15-24-16-14-19)33(29,30)20-10-8-18(9-11-20)25-23(32)26-22(28)12-7-17-5-3-4-6-21(17)31-2/h3-16H,1-2H3,(H2,25,26,28,32)/b12-7+
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n/an/an/an/a 500n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal delet...

Bioorg Med Chem 25: 4355-4367 (2017)


Article DOI: 10.1016/j.bmc.2017.06.016
BindingDB Entry DOI: 10.7270/Q24M971T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%