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Compile Data Set for Download or QSAR

Found 265 hits with Last Name = 'hénichart' and Initial = 'jp'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50042235
PNG
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
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2n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50042235
PNG
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
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2n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224081
PNG
(CHEMBL235733 | N3-(1-(3,5-dimethyl)adamantyl)-7-ch...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22|
Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-9-30-14-21(23(31)20-8-7-19(28)10-22(20)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-8,10,14,18H,4-6,9,11-13,15-17H2,1-3H3,(H,29,32)
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5.30n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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5.37n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
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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7.30n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
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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9.10n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089984
PNG
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C31H33N3O5S/c1-2-3-21-33-29(36)31(19-9-10-20-31)30(37)34(33)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)40(38,39)32-28(35)25-11-5-4-6-12-25/h4-8,11-18H,2-3,9-10,19-22H2,1H3,(H,32,35)
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10n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089996
PNG
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)CCCC)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C29H37N3O5S/c1-3-5-13-26(33)30-38(36,37)25-12-8-7-11-24(25)23-16-14-22(15-17-23)21-32-28(35)29(18-9-10-19-29)27(34)31(32)20-6-4-2/h7-8,11-12,14-17H,3-6,9-10,13,18-21H2,1-2H3,(H,30,33)
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13n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224046
PNG
(((+/-)-N3-(1-(1-adamantyl)ethyl)-4-oxo-1-pentyl-1,...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |w:11.11,TLB:11:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C27H36N2O2/c1-3-4-7-10-29-17-23(25(30)22-8-5-6-9-24(22)29)26(31)28-18(2)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-6,8-9,17-21H,3-4,7,10-16H2,1-2H3,(H,28,31)
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14n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50119657
PNG
(8-Butyl-7-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-23(33)17-26(14-6-7-15-26)25(34)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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14n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
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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15.4n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180020
PNG
(4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |TLB:14:15:20.13.12:21,22:11:20:17.14.15,THB:14:13:21:17.15.22,10:11:20:17.14.15,22:15:20:12.11.21,16:15:20:12.11.21,16:15:20.13.12:21|
Show InChI InChI=1S/C27H36N2O2/c1-4-5-8-11-29-15-21(23(30)20-9-6-7-10-22(20)29)24(31)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,31)
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15.8n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180040
PNG
(4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |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/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)
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16.4n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224077
PNG
(CHEMBL236361 | N3-(1-(3,5-dimethyl)adamantyl)-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=S)c2ccccc12 |w:13.13,15.15,18.18,11.10,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,TEB:10:11:20:17.15.14,10:11:20.18.17:14,16:15:20:12.21.11,16:15:12:20.18.21,19:18:14:12.11.22,19:18:12:15.14.22|
Show InChI InChI=1S/C27H36N2OS/c1-4-5-8-11-29-15-21(23(31)20-9-6-7-10-22(20)29)24(30)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,30)
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18.2n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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20.3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224059
PNG
(CHEMBL235040 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccnc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22|
Show InChI InChI=1S/C26H35N3O2/c1-4-5-6-10-29-14-20(21(30)19-8-7-9-27-22(19)29)23(31)28-26-13-18-11-24(2,16-26)15-25(3,12-18)17-26/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,28,31)
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23.5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089990
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089990
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089987
PNG
(4'-(1,4-Dioxo-3-pentyl-2,3-diaza-spiro[4.4]non-2-y...)
Show SMILES CCCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C32H35N3O5S/c1-2-3-11-22-34-30(37)32(20-9-10-21-32)31(38)35(34)23-24-16-18-25(19-17-24)27-14-7-8-15-28(27)41(39,40)33-29(36)26-12-5-4-6-13-26/h4-8,12-19H,2-3,9-11,20-23H2,1H3,(H,33,36)
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25n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224052
PNG
(CHEMBL393792 | adamantane-1-carboxylic Acid (4-Oxo...)
Show SMILES CCCCCn1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)26-24(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)
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25.5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224051
PNG
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32)
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26.1n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224063
PNG
(CHEMBL235946 | N3-(1-(3,5-dimethyl)adamantyl)-8-ch...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccc(Cl)c12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22|
Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-10-30-14-20(23(31)19-8-7-9-21(28)22(19)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,29,32)
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27.4n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224046
PNG
(((+/-)-N3-(1-(1-adamantyl)ethyl)-4-oxo-1-pentyl-1,...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |w:11.11,TLB:11:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C27H36N2O2/c1-3-4-7-10-29-17-23(25(30)22-8-5-6-9-24(22)29)26(31)28-18(2)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-6,8-9,17-21H,3-4,7,10-16H2,1-2H3,(H,28,31)
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28.5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224061
PNG
(CHEMBL392288 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cnccc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22|
Show InChI InChI=1S/C26H35N3O2/c1-4-5-6-9-29-14-20(22(30)19-13-27-8-7-21(19)29)23(31)28-26-12-18-10-24(2,16-26)15-25(3,11-18)17-26/h7-8,13-14,18H,4-6,9-12,15-17H2,1-3H3,(H,28,31)
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30.9n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089986
PNG
(4'-(2,4-Dibutyl-4-methyl-3,5-dioxo-pyrazolidin-1-y...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C(C)(CCCC)C1=O
Show InChI InChI=1S/C32H37N3O5S/c1-4-6-21-32(3)30(37)34(22-7-5-2)35(31(32)38)23-24-17-19-25(20-18-24)27-15-11-12-16-28(27)41(39,40)33-29(36)26-13-9-8-10-14-26/h8-20H,4-7,21-23H2,1-3H3,(H,33,36)
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32n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089988
PNG
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)NC2CCCCC2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C31H40N4O5S/c1-2-3-21-34-28(36)31(19-9-10-20-31)29(37)35(34)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)41(39,40)33-30(38)32-25-11-5-4-6-12-25/h7-8,13-18,25H,2-6,9-12,19-22H2,1H3,(H2,32,33,38)
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32n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180021
PNG
((R)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m1/s1
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37.1n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089993
PNG
(4'-(1,4-Dioxo-3-propyl-2,3-diaza-spiro[4.4]non-2-y...)
Show SMILES CCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O
Show InChI InChI=1S/C30H31N3O5S/c1-2-20-32-28(35)30(18-8-9-19-30)29(36)33(32)21-22-14-16-23(17-15-22)25-12-6-7-13-26(25)39(37,38)31-27(34)24-10-4-3-5-11-24/h3-7,10-17H,2,8-9,18-21H2,1H3,(H,31,34)
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40n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224051
PNG
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32)
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41.1n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180028
PNG
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29)
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41.7n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089992
PNG
(4'-(2-Butyl-4,4-dimethyl-3,5-dioxo-pyrazolidin-1-y...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C(C)(C)C1=O
Show InChI InChI=1S/C29H31N3O5S/c1-4-5-19-31-27(34)29(2,3)28(35)32(31)20-21-15-17-22(18-16-21)24-13-9-10-14-25(24)38(36,37)30-26(33)23-11-7-6-8-12-23/h6-18H,4-5,19-20H2,1-3H3,(H,30,33)
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42n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224062
PNG
(CHEMBL235487 | N3-((1-adamantyl)methyl)-4-oxo-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:11:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18|
Show InChI InChI=1S/C26H34N2O2/c1-2-3-6-9-28-16-22(24(29)21-7-4-5-8-23(21)28)25(30)27-17-26-13-18-10-19(14-26)12-20(11-18)15-26/h4-5,7-8,16,18-20H,2-3,6,9-15,17H2,1H3,(H,27,30)
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50.6n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
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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51.7n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224064
PNG
(CHEMBL235732 | N3-(1-(3,5-dimethyl)adamantyl)-6-ch...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cc(Cl)ccc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:19:18:12:15.14.22,19:18:14:12.11.22,16:15:20:12.21.11,16:15:12:20.18.21|
Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-9-30-14-21(23(31)20-10-19(28)7-8-22(20)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-8,10,14,18H,4-6,9,11-13,15-17H2,1-3H3,(H,29,32)
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54.6n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180028
PNG
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29)
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60.2n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180044
PNG
((RS)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydro...)
Show SMILES CCCCCn1cc(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)
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70.8n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50119658
PNG
(7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O
Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)
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80n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5


J Med Chem 45: 4794-8 (2002)


BindingDB Entry DOI: 10.7270/Q2QC02TH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224083
PNG
(CHEMBL238047 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11,12:9:4:7.1.2,12:9:4.5.7:2|
Show InChI InChI=1S/C29H31FN2O2/c1-27-11-20-12-28(2,16-27)18-29(13-20,17-27)31-26(34)23-15-32(14-19-7-9-21(30)10-8-19)24-6-4-3-5-22(24)25(23)33/h3-10,15,20H,11-14,16-18H2,1-2H3,(H,31,34)
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83.4n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224068
PNG
(CHEMBL235042 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CCCCCn1nc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:13.20,11.10,15.15,18.18,TLB:22:11:14.15.17:20,THB:22:15:20:12.11.21,21:11:14:17.18.20,21:18:14:12.22.11,TEB:10:11:14:17.18.20,10:11:14.15.17:20,16:15:12:18.20.21,16:15:20:12.11.21,19:18:14:12.22.11,19:18:12:14.15.22|
Show InChI InChI=1S/C26H35N3O2/c1-4-5-8-11-29-20-10-7-6-9-19(20)22(30)21(28-29)23(31)27-26-14-18-12-24(2,16-26)15-25(3,13-18)17-26/h6-7,9-10,18H,4-5,8,11-17H2,1-3H3,(H,27,31)
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93n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224050
PNG
(CHEMBL393931 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CCCCCn1c(-c2ccccc2)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:19.20,17.17,21.22,24.25,TLB:28:17:26:23.21.20,THB:27:24:20:18.17.28,27:17:26.24.23:20,28:21:26:18.27.17,TEB:16:17:26:23.21.20,16:17:26.24.23:20,22:21:26:18.27.17,22:21:18:26.24.27,25:24:20:18.17.28,25:24:18:21.20.28|
Show InChI InChI=1S/C33H40N2O2/c1-4-5-11-16-35-26-15-10-9-14-25(26)29(36)27(28(35)24-12-7-6-8-13-24)30(37)34-33-19-23-17-31(2,21-33)20-32(3,18-23)22-33/h6-10,12-15,23H,4-5,11,16-22H2,1-3H3,(H,34,37)
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119n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224074
PNG
(((+/-)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-6-chlor...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2cc(Cl)ccc12 |w:11.10|
Show InChI InChI=1S/C25H27ClN2O2/c1-2-3-6-14-28-16-21(24(29)20-15-18(26)12-13-23(20)28)25(30)27-22-11-7-9-17-8-4-5-10-19(17)22/h4-5,8,10,12-13,15-16,22H,2-3,6-7,9,11,14H2,1H3,(H,27,30)
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121n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180038
PNG
((R)-N3-(1-(1-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-17-29-18-24(26(30)23-14-7-8-16-25(23)29)27(31)28-19(2)21-15-10-12-20-11-5-6-13-22(20)21/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3,(H,28,31)/t19-/m1/s1
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125n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224045
PNG
(((+/-))-N3-(1-(1-adamantyl)ethyl)-6-chloro-4-oxo-1...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cl)ccc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,11:13:16:20.18.19|
Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-12-21(28)6-7-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32)
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144n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224054
PNG
(CHEMBL392952 | N3-(1-adamantyl)-4-oxo-1-(2-(morpho...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc2c1=O |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C26H33N3O3/c30-24-21-3-1-2-4-23(21)29(6-5-28-7-9-32-10-8-28)17-22(24)25(31)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h1-4,17-20H,5-16H2,(H,27,31)
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152n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224072
PNG
(3-(naphthalene-1-carbonyl)-1-pentyl-1,4-dihydroqui...)
Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H23NO2/c1-2-3-8-16-26-17-22(25(28)21-13-6-7-15-23(21)26)24(27)20-14-9-11-18-10-4-5-12-19(18)20/h4-7,9-15,17H,2-3,8,16H2,1H3
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154n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50089989
PNG
(2-Phenyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES O=C1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)N(C(=O)C11CCCC1)c1ccccc1
Show InChI InChI=1S/C27H24N6O2/c34-25-27(16-6-7-17-27)26(35)33(21-8-2-1-3-9-21)32(25)18-19-12-14-20(15-13-19)22-10-4-5-11-23(22)24-28-30-31-29-24/h1-5,8-15H,6-7,16-18H2,(H,28,29,30,31)
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158n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5


J Med Chem 43: 2685-97 (2000)


BindingDB Entry DOI: 10.7270/Q22B8X8G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224069
PNG
(CHEMBL394230 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(CCCc2ccccc2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:12:9:4:7.1.2,12:9:4.5.7:2,0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11|
Show InChI InChI=1S/C31H36N2O2/c1-29-15-23-16-30(2,19-29)21-31(17-23,20-29)32-28(35)25-18-33(14-8-11-22-9-4-3-5-10-22)26-13-7-6-12-24(26)27(25)34/h3-7,9-10,12-13,18,23H,8,11,14-17,19-21H2,1-2H3,(H,32,35)
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160n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180030
PNG
((RS)-N3-(1-(1-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NC(C)c2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-17-29-18-24(26(30)23-14-7-8-16-25(23)29)27(31)28-19(2)21-15-10-12-20-11-5-6-13-22(20)21/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3,(H,28,31)
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174n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224082
PNG
(CHEMBL236539 | N3-(1-(3,5-dimethyl)adamantyl)-2-me...)
Show SMILES CCCCCn1c(C)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:14.14,12.11,16.16,19.19,TLB:23:12:21:18.16.15,THB:22:19:15:13.12.23,22:12:21.19.18:15,23:16:21:13.22.12,TEB:11:12:21:18.16.15,11:12:21.19.18:15,17:16:21:13.22.12,17:16:13:21.19.22,20:19:13:16.15.23,20:19:15:13.12.23|
Show InChI InChI=1S/C28H38N2O2/c1-5-6-9-12-30-19(2)23(24(31)21-10-7-8-11-22(21)30)25(32)29-28-15-20-13-26(3,17-28)16-27(4,14-20)18-28/h7-8,10-11,20H,5-6,9,12-18H2,1-4H3,(H,29,32)
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200n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
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