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Compile Data Set for Download or QSAR

Found 1118 hits with Last Name = 'brizzi' and Initial = 'a'   
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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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>0.0480n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392561
PNG
(CHEMBL2152813)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392560
PNG
(CHEMBL2152812)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H36N2O2S/c1-5-6-16-32-19-24(27(34)31-28-29(2,3)20-14-15-30(28,4)18-20)26(33)23-13-12-22(17-25(23)32)35-21-10-8-7-9-11-21/h7-13,17,19-20,28H,5-6,14-16,18H2,1-4H3,(H,31,34)/t20?,28-,30-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067498
PNG
((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB2 receptor expressed in african green monkey COS cells by radioligand binding assay


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156100
PNG
(CHEMBL3780550)
Show SMILES CCCCCn1c2ccc(cc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-25-8-7-22(18(2)3)13-23(25)14-24(27(30)32)26(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h7-8,13-14,18-21H,4-6,9-12,15-17H2,1-3H3,(H,29,31)
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0.260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392551
PNG
(CHEMBL2152803)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C25H33FN2O2/c1-5-6-7-12-28-15-19(21(29)18-9-8-17(26)13-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16?,23-,25-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156101
PNG
(CHEMBL3780075)
Show SMILES CCCCCn1c2CCCCc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C25H36N2O3/c1-2-3-6-9-27-20-8-5-4-7-19(20)22(28)21(24(27)30)23(29)26-25-13-16-10-17(14-25)12-18(11-16)15-25/h16-18,28H,2-15H2,1H3,(H,26,29)
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0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392559
PNG
(CHEMBL2152811)
Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O2S/c1-5-15-31-18-23(26(33)30-27-28(2,3)19-13-14-29(27,4)17-19)25(32)22-12-11-21(16-24(22)31)34-20-9-7-6-8-10-20/h6-12,16,18-19,27H,5,13-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356552
PNG
(CHEMBL1909860)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-15-8-4-3-5-9-15)26-28(22(17)27-12-6-7-13-27)16-10-11-18(23)19(24)14-16/h6-7,10-15H,2-5,8-9H2,1H3,(H,25,29)
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0.510n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156023
PNG
(CHEMBL3780521)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392550
PNG
(CHEMBL2152802)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C24H31FN2O2/c1-5-6-11-27-14-18(20(28)17-8-7-16(25)12-19(17)27)21(29)26-22-23(2,3)15-9-10-24(22,4)13-15/h7-8,12,14-15,22H,5-6,9-11,13H2,1-4H3,(H,26,29)/t15?,22-,24-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356548
PNG
(CHEMBL1909856)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(9.73,-1.52,;10.63,-2.77,;12.17,-2.77,;12.64,-4.23,;11.4,-5.13,;10.15,-4.23,;8.68,-4.68,;8.18,-6.13,;6.64,-6.11,;6.19,-4.64,;7.45,-3.75,;7.47,-2.21,;11.39,-6.67,;10.05,-7.44,;10.05,-8.97,;11.38,-9.75,;11.38,-11.29,;12.72,-8.97,;14.06,-9.74,;12.72,-7.43,;13.07,-1.52,;12.45,-.12,;14.61,-1.69,;15.51,-.44,;17.05,-.61,;17.96,.62,;17.34,2.03,;15.81,2.2,;14.89,.96,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-14-6-3-2-4-7-14)26-28(15-9-10-16(22)17(23)12-15)21(13)27-11-5-8-18(27)24/h5,8-12,14H,2-4,6-7H2,1H3,(H,25,29)
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0.900n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156024
PNG
(CHEMBL3780852)
Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156022
PNG
(CHEMBL3780166)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C30H37NO10S/c1-14(33)37-25-21(13-32)40-29(27(39-16(3)35)26(25)38-15(2)34)42-22-9-7-18-19-12-17-6-8-20(36-5)24-23(17)30(18,28(22)41-24)10-11-31(19)4/h6-9,18-19,21-22,25-29,32H,10-13H2,1-5H3/t18-,19+,21?,22?,25?,26?,27?,28-,29?,30-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392564
PNG
(CHEMBL2152816)
Show SMILES COCCn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O3S/c1-28(2)19-12-13-29(3,17-19)27(28)30-26(33)23-18-31(14-15-34-4)24-16-21(10-11-22(24)25(23)32)35-20-8-6-5-7-9-20/h5-11,16,18-19,27H,12-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298944
PNG
(CHEMBL576549 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-16-8-4-2-3-5-9-16)26-28(22(15)27-12-6-7-13-27)17-10-11-18(23)19(24)14-17/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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1.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392563
PNG
(CHEMBL2152815)
Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H37N3O2S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-33(16-15-32(4)5)25-17-22(11-12-23(25)26(24)34)36-21-9-7-6-8-10-21/h6-12,17,19-20,28H,13-16,18H2,1-5H3,(H,31,35)/t20?,28-,30-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356550
PNG
(CHEMBL1909858)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(33.16,-36.05,;34.06,-37.29,;35.6,-37.3,;36.07,-38.76,;34.82,-39.66,;33.58,-38.75,;32.11,-39.21,;30.88,-38.28,;30.9,-36.74,;29.62,-39.16,;30.07,-40.64,;31.61,-40.66,;32.5,-41.92,;34.82,-41.2,;33.48,-41.96,;33.48,-43.5,;34.81,-44.27,;34.81,-45.81,;36.15,-43.5,;37.49,-44.27,;36.15,-41.96,;36.5,-36.05,;35.88,-34.64,;38.03,-36.21,;38.94,-34.97,;40.47,-35.14,;41.38,-33.9,;40.76,-32.49,;39.22,-32.32,;38.31,-33.57,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-13-5-3-2-4-6-13)27-29(14-7-8-15(22)16(23)11-14)21(12)28-17(24)9-10-18(28)25/h7-11,13H,2-6H2,1H3,(H,26,30)
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1.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21266
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;3.95,6.49,;5.34,7.17,;5.44,8.7,;4.16,9.56,;2.78,8.89,)|
Show InChI InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-17-7-5-4-6-8-17)27-29(23)18-11-12-19(24)20(25)13-18/h9-13,17H,4-8H2,1-3H3,(H,26,30)
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1.30n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
BindingDB Entry DOI: 10.7270/Q2GX48V9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50037971
PNG
(CHEMBL3359414)
Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C27H25N5O/c1-2-23-28-26-24(22-16-21(29-32(22)23)19-12-7-4-8-13-19)25(20-14-9-15-20)30-31(27(26)33)17-18-10-5-3-6-11-18/h3-8,10-13,16,20H,2,9,14-15,17H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins


Eur J Med Chem 89: 32-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.020
BindingDB Entry DOI: 10.7270/Q2KP83SC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272486
PNG
(CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298942
PNG
((R)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272486
PNG
(CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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1.70n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
BindingDB Entry DOI: 10.7270/Q2GX48V9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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1.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356554
PNG
(CHEMBL1909957)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(34.91,5.92,;34.28,4.51,;35.19,3.27,;36.72,3.27,;37.2,1.8,;35.95,.9,;34.71,1.81,;33.24,1.35,;32,2.28,;32.03,3.82,;30.75,1.4,;31.2,-.08,;32.74,-.1,;33.22,-1.53,;35.95,-.63,;34.61,-1.4,;34.61,-2.94,;35.94,-3.71,;35.94,-5.25,;37.28,-2.94,;38.62,-3.7,;37.28,-1.4,;37.63,4.51,;37.01,5.92,;39.16,4.35,;40.07,5.59,;41.6,5.42,;42.5,6.66,;41.89,8.08,;40.35,8.25,;39.43,6.99,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-17-8-6-5-7-9-17)28-30(18-12-13-20(25)21(26)14-18)24(19)29-15(2)10-11-16(29)3/h10-14,17H,4-9H2,1-3H3,(H,27,31)
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1.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50038004
PNG
(CHEMBL3359412)
Show SMILES O=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1
Show InChI InChI=1S/C25H21N5O/c31-25-24-22(21-14-20(27-30(21)16-26-24)18-10-5-2-6-11-18)23(19-12-7-13-19)28-29(25)15-17-8-3-1-4-9-17/h1-6,8-11,14,16,19H,7,12-13,15H2
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1.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins


Eur J Med Chem 89: 32-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.020
BindingDB Entry DOI: 10.7270/Q2KP83SC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in human HEK293 cells


J Med Chem 54: 8278-88 (2011)


Article DOI: 10.1021/jm200529h
BindingDB Entry DOI: 10.7270/Q23J3DC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


Bioorg Med Chem 15: 5406-16 (2007)


Article DOI: 10.1016/j.bmc.2007.05.060
BindingDB Entry DOI: 10.7270/Q2T154G7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB2 receptor expressed in african green monkey COS cells by radioligand binding assay


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells


J Med Chem 48: 7343-50 (2005)


Article DOI: 10.1021/jm0501533
BindingDB Entry DOI: 10.7270/Q2FX7B7W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
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2.10n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
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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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
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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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356540
PNG
(CHEMBL1909848)
Show SMILES Cc1c(nn(c1-n1cc2CCCCc2c1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C25H28Cl2N4O/c1-16-23(24(32)28-20-9-3-2-4-10-20)29-31(22-12-11-19(26)13-21(22)27)25(16)30-14-17-7-5-6-8-18(17)15-30/h11-15,20H,2-10H2,1H3,(H,28,32)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
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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2.30n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
BindingDB Entry DOI: 10.7270/Q2GX48V9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298941
PNG
((S)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50038025
PNG
(CHEMBL3359421)
Show SMILES S=c1n(Cc2ccccc2)nc(C2CCC2)c2c3cc(nn3cnc12)-c1ccccc1
Show InChI InChI=1S/C25H21N5S/c31-25-24-22(21-14-20(27-30(21)16-26-24)18-10-5-2-6-11-18)23(19-12-7-13-19)28-29(25)15-17-8-3-1-4-9-17/h1-6,8-11,14,16,19H,7,12-13,15H2
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins


Eur J Med Chem 89: 32-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.020
BindingDB Entry DOI: 10.7270/Q2KP83SC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392561
PNG
(CHEMBL2152813)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1
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2.45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392566
PNG
(CHEMBL2152818)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C30H36N2O3S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-32(15-7-8-16-33)25-17-22(11-12-23(25)26(24)34)36-21-9-5-4-6-10-21/h4-6,9-12,17,19-20,28,33H,7-8,13-16,18H2,1-3H3,(H,31,35)/t20?,28-,30-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392549
PNG
(CHEMBL2152801)
Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C23H29FN2O2/c1-5-10-26-13-17(19(27)16-7-6-15(24)11-18(16)26)20(28)25-21-22(2,3)14-8-9-23(21,4)12-14/h6-7,11,13-14,21H,5,8-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356542
PNG
(CHEMBL1909850)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-16-8-4-3-5-9-16)26-28(22(17)27-12-6-7-13-27)19-11-10-15(23)14-18(19)24/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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3.20n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins


Eur J Med Chem 89: 32-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.020
BindingDB Entry DOI: 10.7270/Q2KP83SC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50038029
PNG
(CHEMBL3359413)
Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCC2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C26H23N5O/c1-17-27-25-23(22-15-21(28-31(17)22)19-11-6-3-7-12-19)24(20-13-8-14-20)29-30(26(25)32)16-18-9-4-2-5-10-18/h2-7,9-12,15,20H,8,13-14,16H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins


Eur J Med Chem 89: 32-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.020
BindingDB Entry DOI: 10.7270/Q2KP83SC
More data for this
Ligand-Target Pair
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