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PubMed code 24984935

Compile data set for download or QSAR
Found 24 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 2


(Homo sapiens (Human))		BDBM50048484
PNG
(CHEMBL3310166)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)CCCCCCCCCCNC(=O)c2ccc3n(CCC(C)C)c(Cc4ccc(OCC)cc4)nc3c2)cc1
Show InChI InChI=1S/C65H95N7O4/c1-8-75-56-32-26-52(27-33-56)46-62-68-58-48-54(30-36-60(58)71(62)44-38-50(3)4)64(73)66-40-22-18-14-10-12-16-20-24-42-70(7)43-25-21-17-13-11-15-19-23-41-67-65(74)55-31-37-61-59(49-55)69-63(72(61)45-39-51(5)6)47-53-28-34-57(35-29-53)76-9-2/h26-37,48-51H,8-25,38-47H2,1-7H3,(H,66,73)(H,67,74)
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n/an/an/an/a 1.66E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50048480
PNG
(CHEMBL3310161)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCCCCCCCCN(C)CCCCCCCCCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C63H91N7O4/c1-8-67(9-2)62(71)52-34-40-58-56(48-52)64-60(46-50-30-36-54(37-31-50)73-12-5)69(58)44-28-24-20-16-14-18-22-26-42-66(7)43-27-23-19-15-17-21-25-29-45-70-59-41-35-53(63(72)68(10-3)11-4)49-57(59)65-61(70)47-51-32-38-55(39-33-51)74-13-6/h30-41,48-49H,8-29,42-47H2,1-7H3
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n/an/an/an/a 6.31E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50048483
PNG
(CHEMBL3310164)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)C)cc1
Show InChI InChI=1S/C34H52N4O2/c1-6-40-30-18-15-28(16-19-30)25-33-36-31-26-29(17-20-32(31)38(33)24-21-27(2)3)34(39)35-22-13-11-9-7-8-10-12-14-23-37(4)5/h15-20,26-27H,6-14,21-25H2,1-5H3,(H,35,39)
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n/an/an/an/a 2.40E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50048484
PNG
(CHEMBL3310166)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)CCCCCCCCCCNC(=O)c2ccc3n(CCC(C)C)c(Cc4ccc(OCC)cc4)nc3c2)cc1
Show InChI InChI=1S/C65H95N7O4/c1-8-75-56-32-26-52(27-33-56)46-62-68-58-48-54(30-36-60(58)71(62)44-38-50(3)4)64(73)66-40-22-18-14-10-12-16-20-24-42-70(7)43-25-21-17-13-11-15-19-23-41-67-65(74)55-31-37-61-59(49-55)69-63(72(61)45-39-51(5)6)47-53-28-34-57(35-29-53)76-9-2/h26-37,48-51H,8-25,38-47H2,1-7H3,(H,66,73)(H,67,74)
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n/an/an/an/a 2.57E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048487
PNG
(CHEMBL3310157)
Show SMILES CCCCn1c(Cc2ccc(OCC)cc2)nc2cc(ccc12)C(=O)N(CC)CC
Show InChI InChI=1S/C25H33N3O2/c1-5-9-16-28-23-15-12-20(25(29)27(6-2)7-3)18-22(23)26-24(28)17-19-10-13-21(14-11-19)30-8-4/h10-15,18H,5-9,16-17H2,1-4H3
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n/an/an/an/a 174n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/an/a 58n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50048479
PNG
(CHEMBL3310159)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCCCCCCCCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C33H50N4O2/c1-6-36(7-2)33(38)28-19-22-31-30(26-28)34-32(25-27-17-20-29(21-18-27)39-8-3)37(31)24-16-14-12-10-9-11-13-15-23-35(4)5/h17-22,26H,6-16,23-25H2,1-5H3
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n/an/an/an/a 2.51E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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n/an/an/an/a 3.24E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048479
PNG
(CHEMBL3310159)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCCCCCCCCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C33H50N4O2/c1-6-36(7-2)33(38)28-19-22-31-30(26-28)34-32(25-27-17-20-29(21-18-27)39-8-3)37(31)24-16-14-12-10-9-11-13-15-23-35(4)5/h17-22,26H,6-16,23-25H2,1-5H3
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n/an/an/an/a 3.16E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048480
PNG
(CHEMBL3310161)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCCCCCCCCN(C)CCCCCCCCCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C63H91N7O4/c1-8-67(9-2)62(71)52-34-40-58-56(48-52)64-60(46-50-30-36-54(37-31-50)73-12-5)69(58)44-28-24-20-16-14-18-22-26-42-66(7)43-27-23-19-15-17-21-25-29-45-70-59-41-35-53(63(72)68(10-3)11-4)49-57(59)65-61(70)47-51-32-38-55(39-33-51)74-13-6/h30-41,48-49H,8-29,42-47H2,1-7H3
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n/an/an/an/a 6.61E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048488
PNG
(CHEMBL3310158)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)OC)cc1
Show InChI InChI=1S/C23H28N2O3/c1-5-28-19-9-6-17(7-10-19)14-22-24-20-15-18(23(26)27-4)8-11-21(20)25(22)13-12-16(2)3/h6-11,15-16H,5,12-14H2,1-4H3
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n/an/an/an/a 295n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048481
PNG
(CHEMBL3310162)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCN(C)CCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C49H63N7O4/c1-8-53(9-2)48(57)38-20-26-44-42(34-38)50-46(32-36-16-22-40(23-17-36)59-12-5)55(44)30-14-28-52(7)29-15-31-56-45-27-21-39(49(58)54(10-3)11-4)35-43(45)51-47(56)33-37-18-24-41(25-19-37)60-13-6/h16-27,34-35H,8-15,28-33H2,1-7H3
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n/an/an/an/a 1.20E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048482
PNG
(CHEMBL3310163)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCCN(C)CCCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C51H67N7O4/c1-8-55(9-2)50(59)40-22-28-46-44(36-40)52-48(34-38-18-24-42(25-19-38)61-12-5)57(46)32-16-14-30-54(7)31-15-17-33-58-47-29-23-41(51(60)56(10-3)11-4)37-45(47)53-49(58)35-39-20-26-43(27-21-39)62-13-6/h18-29,36-37H,8-17,30-35H2,1-7H3
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n/an/an/an/a 5.75E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50048486
PNG
(CHEMBL3310167)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCN(C)CCCNC(=O)c2ccc3n(CCC(C)C)c(Cc4ccc(OCC)cc4)nc3c2)cc1
Show InChI InChI=1S/C51H67N7O4/c1-8-61-42-18-12-38(13-19-42)32-48-54-44-34-40(16-22-46(44)57(48)30-24-36(3)4)50(59)52-26-10-28-56(7)29-11-27-53-51(60)41-17-23-47-45(35-41)55-49(58(47)31-25-37(5)6)33-39-14-20-43(21-15-39)62-9-2/h12-23,34-37H,8-11,24-33H2,1-7H3,(H,52,59)(H,53,60)
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n/an/an/an/a 1.74E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50048487
PNG
(CHEMBL3310157)
Show SMILES CCCCn1c(Cc2ccc(OCC)cc2)nc2cc(ccc12)C(=O)N(CC)CC
Show InChI InChI=1S/C25H33N3O2/c1-5-9-16-28-23-15-12-20(25(29)27(6-2)7-3)18-22(23)26-24(28)17-19-10-13-21(14-11-19)30-8-4/h10-15,18H,5-9,16-17H2,1-4H3
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n/an/an/an/a 1.35E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50048481
PNG
(CHEMBL3310162)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCN(C)CCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C49H63N7O4/c1-8-53(9-2)48(57)38-20-26-44-42(34-38)50-46(32-36-16-22-40(23-17-36)59-12-5)55(44)30-14-28-52(7)29-15-31-56-45-27-21-39(49(58)54(10-3)11-4)35-43(45)51-47(56)33-37-18-24-41(25-19-37)60-13-6/h16-27,34-35H,8-15,28-33H2,1-7H3
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n/an/an/an/a 3.47E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a 603n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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n/an/an/an/a 741n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048483
PNG
(CHEMBL3310164)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)C)cc1
Show InChI InChI=1S/C34H52N4O2/c1-6-40-30-18-15-28(16-19-30)25-33-36-31-26-29(17-20-32(31)38(33)24-21-27(2)3)34(39)35-22-13-11-9-7-8-10-12-14-23-37(4)5/h15-20,26-27H,6-14,21-25H2,1-5H3,(H,35,39)
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n/an/an/an/a 1.95E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048486
PNG
(CHEMBL3310167)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCN(C)CCCNC(=O)c2ccc3n(CCC(C)C)c(Cc4ccc(OCC)cc4)nc3c2)cc1
Show InChI InChI=1S/C51H67N7O4/c1-8-61-42-18-12-38(13-19-42)32-48-54-44-34-40(16-22-46(44)57(48)30-24-36(3)4)50(59)52-26-10-28-56(7)29-11-27-53-51(60)41-17-23-47-45(35-41)55-49(58(47)31-25-37(5)6)33-39-14-20-43(21-15-39)62-9-2/h12-23,34-37H,8-11,24-33H2,1-7H3,(H,52,59)(H,53,60)
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n/an/an/an/a 2.88E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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n/an/an/an/a 141n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50048489
PNG
(CHEMBL3310160)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H36N4O2/c1-6-29(7-2)26(31)21-12-15-24-23(19-21)27-25(30(24)17-9-16-28(4)5)18-20-10-13-22(14-11-20)32-8-3/h10-15,19H,6-9,16-18H2,1-5H3
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n/an/an/an/a 1.26E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by sc...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%