Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50037651 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180020
(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) | PDB
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| n/a | n/a | n/a | n/a | 14.1 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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)) | BDBM50180021
((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 | PDB
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| n/a | n/a | n/a | n/a | 16.8 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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)) | BDBM50180022
(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) | PDB
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| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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)) | BDBM50067499
((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 | PDB
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| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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
((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 | PDB
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Article
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| n/a | n/a | n/a | n/a | 24.6 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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 | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180028
((+)-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) | PDB
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| n/a | n/a | n/a | n/a | 157 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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)) | BDBM50072775
(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 | PDB
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| n/a | n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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 |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180036
((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 | PDB
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PC sid
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| n/a | n/a | n/a | n/a | 146 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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)) | BDBM50180026
(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) | PDB
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| n/a | n/a | n/a | n/a | 24.8 | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Effect on [35S]GTP-gamma-S binding to 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 | |
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