Found 169 hits Enz. Inhib. hit(s) with all data for entry = 50044148 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)) | BDBM50006257
(CHEMBL3233404)Show SMILES [H][C@@]12CC(OO)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |r,c:5| Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-20(25)22-18-15-17(28-26)10-11-19(18)24(4,5)27-21(22)14-16/h10,13-14,18-19,25-26H,6-9,11-12,15H2,1-5H3/t18-,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200169
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30) | PDB
Reactome pathway
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| Article
PubMed
| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
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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| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
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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| PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(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
NCI pathway
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| PDB
Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006253
(A-836339 | CHEMBL1668519)Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3/b17-14- | PDB
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| Article
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| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
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
Reactome pathway
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| PDB
Article
PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006265
(CHEMBL3234672)Show SMILES CC1(C)Cc2ccc(cc2[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1)C#N |r| Show InChI InChI=1S/C21H18ClN3O/c1-21(2)10-13-4-3-12(11-23)7-16(13)19(21)25-20(26)18-9-14-8-15(22)5-6-17(14)24-18/h3-9,19,24H,10H2,1-2H3,(H,25,26)/t19-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(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
NCI pathway
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50272598
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50006257
(CHEMBL3233404)Show SMILES [H][C@@]12CC(OO)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |r,c:5| Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-20(25)22-18-15-17(28-26)10-11-19(18)24(4,5)27-21(22)14-16/h10,13-14,18-19,25-26H,6-9,11-12,15H2,1-5H3/t18-,19-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to rat CB1 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50072769
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15- | PDB
Reactome pathway
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| Article
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by liquid scintillation counting in presence of serine protease inhibitor ... |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006316
(CHEMBL3234700)Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1CN1CC(O)C1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C22H29F3N4O2S/c1-5-6-9-29-20(32-19(27-29)21(2,3)4)26-18(31)17-10-15(22(23,24)25)8-7-14(17)11-28-12-16(30)13-28/h7-8,10,16,30H,5-6,9,11-13H2,1-4H3/b26-20- | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287941
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
DrugBank
PC cid
PC sid
UniChem
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Similars
| DrugBank
Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006269
(CHEMBL3234669)Show SMILES COc1cccc2c(C(=O)c3ccc(Br)c4ccccc34)c(C)n(CCN3CCOCC3)c12 Show InChI InChI=1S/C27H27BrN2O3/c1-18-25(27(31)21-10-11-23(28)20-7-4-3-6-19(20)21)22-8-5-9-24(32-2)26(22)30(18)13-12-29-14-16-33-17-15-29/h3-11H,12-17H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(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
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
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PC cid
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006229
(CHEMBL3235057)Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1nn(CCN3CCOCC3)c3c(OC)cccc13)C2(C)C |r| Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50006255
(CHEMBL418353)Show InChI InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15- | PDB
Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by liquid scintillation counting in presence of serine protease inhibitor ... |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287941
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| DrugBank
Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50006416
(CHEMBL3234708)Show SMILES Cc1c2CCCCn2c(=O)c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c12 Show InChI InChI=1S/C24H31NO5/c1-14-17-10-8-9-11-25(17)20(26)16-12-15(29-21(27)23(2,3)4)13-18(19(14)16)30-22(28)24(5,6)7/h12-13H,8-11H2,1-7H3 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from rat CB2 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometry |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50353747
(CHEMBL561013 | JWH-018)Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3 | PDB
Reactome pathway
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50006442
(Levonantradol)Show SMILES [H][C@@]12CC[C@@H](O)C[C@@]1([H])c1c(N[C@H]2C)cc(O[C@H](C)CCCc2ccccc2)cc1OC(C)=O Show InChI InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1 | PDB
Reactome pathway
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor by liquid scintillation spectrophotometry |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
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
Reactome pathway
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
Reactome pathway
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB2 receptor of mouse spleen membranes |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50234418
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 | PDB
Reactome pathway
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50335934
((6aR,10aR)-3-(6-cyano-2-methylhexan-2-yl)-6,6,9-tr...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCCN3CCOCC3)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |r,t:1| Show InChI InChI=1S/C32H46N2O4/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3/t25-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| Article
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in CHO cells after 30 mins by liquid scintillation spectrometry |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50006261
(CHEMBL3234698)Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1 |r| Show InChI InChI=1S/C25H32F3N3O4/c1-23(2,33)15-35-19-8-7-16(25(26,27)28)12-18(19)22(32)29-21-13-20(24(3)9-10-24)30(4)31(21)14-17-6-5-11-34-17/h7-8,12-13,17,33H,5-6,9-11,14-15H2,1-4H3/b29-21+/t17-/m1/s1 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from rat CB2 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometry |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50006416
(CHEMBL3234708)Show SMILES Cc1c2CCCCn2c(=O)c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c12 Show InChI InChI=1S/C24H31NO5/c1-14-17-10-8-9-11-25(17)20(26)16-12-15(29-21(27)23(2,3)4)13-18(19(14)16)30-22(28)24(5,6)7/h12-13H,8-11H2,1-7H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from mouse CB2 receptor by liquid scintillation counting |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006416
(CHEMBL3234708)Show SMILES Cc1c2CCCCn2c(=O)c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c12 Show InChI InChI=1S/C24H31NO5/c1-14-17-10-8-9-11-25(17)20(26)16-12-15(29-21(27)23(2,3)4)13-18(19(14)16)30-22(28)24(5,6)7/h12-13H,8-11H2,1-7H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
Reactome pathway
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| Article
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| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK cells by liquid scintillation counting |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50116851
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12 Show InChI InChI=1S/C27H33N3O5/c1-19-24(26(31)28-22(27(32)34-3)18-20-8-5-4-6-9-20)21-10-7-11-23(33-2)25(21)30(19)13-12-29-14-16-35-17-15-29/h4-11,22H,12-18H2,1-3H3,(H,28,31)/t22-/m0/s1 | PDB
Reactome pathway
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006254
(CHEMBL3234035)Show SMILES [H][C@]12C[C@]([H])(C(=O)C[C@@H]1c1c(O)cc(cc1OC(=O)\C=C\C(O)=O)C(C)(C)CCCCCC)C2(C)C |r| Show InChI InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1 | PDB
Reactome pathway
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PC sid
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50353747
(CHEMBL561013 | JWH-018)Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006252
(CHEMBL3234671)Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cn(CCN3CCOCC3)c3c(OC)cccc13)C2(C)C |r| Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24-,26+/m1/s1 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50335934
((6aR,10aR)-3-(6-cyano-2-methylhexan-2-yl)-6,6,9-tr...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCCN3CCOCC3)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |r,t:1| Show InChI InChI=1S/C32H46N2O4/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3/t25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in CHO cells after 30 mins by liquid scintillation spectrometry |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50005917
(CHEMBL3234681)Show SMILES [H][C@]12CC[C@]([H])(C1)c1c2c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to rat CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21282
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50272598
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287940
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6-d...)Show SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1 Show InChI InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h16-17,20-21H,2,8-15H2,1,3-7H3/t20-,21-/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50054472
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r| Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by liquid scintillation counting in presence of serine protease inhibitor ... |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287939
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-methoxy-6,6,9...)Show SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12,16-17,20-21H,8-11,13-15H2,1-7H3/t20-,21-/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50171296
(2-[((11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propa...)Show InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15- | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]HU-243 from CB1 receptor of rat brain synaptosomal membranes |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50399157
(CHEMBL2179724)Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16| Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1 | PDB
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Article
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]HU-243 from human CB2 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50005922
(CHEMBL3234037)Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)[C@]1(O)CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(3,4)19-15-20(26-5)22(21(16-19)27-6)24(25)14-11-12-18(2)17-24/h15-16,18,25H,7-14,17H2,1-6H3/t18-,24+/m1/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells by liquid scintillation counting |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50006229
(CHEMBL3235057)Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1nn(CCN3CCOCC3)c3c(OC)cccc13)C2(C)C |r| Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50006261
(CHEMBL3234698)Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2OCC(C)(C)O)C(F)(F)F)n1C[C@H]1CCCO1)C1(C)CC1 |r| Show InChI InChI=1S/C25H32F3N3O4/c1-23(2,33)15-35-19-8-7-16(25(26,27)28)12-18(19)22(32)29-21-13-20(24(3)9-10-24)30(4)31(21)14-17-6-5-11-34-17/h7-8,12-13,17,33H,5-6,9-11,14-15H2,1-4H3/b29-21+/t17-/m1/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265754
((6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-in...)Show SMILES CCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50005920
(Ajulemic Acid)Show SMILES [H][C@@]12CC(=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC)C(O)=O |r,c:3| Show InChI InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
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