Found 587 hits with Last Name = 'renault' and Initial = 'n' 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)) | BDBM50081023
(CHEMBL3421699)Show SMILES CCCCCn1cc2c(nn(CC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12 |TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16| Show InChI InChI=1S/C26H33N3O/c1-2-3-6-9-28-16-22-24(21-7-4-5-8-23(21)28)27-29(25(22)30)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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202986
(2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50202986
(2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...)Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor (unknown origin) |
Eur J Med Chem 144: 151-163 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.007 BindingDB Entry DOI: 10.7270/Q2RF5XPZ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081021
(CHEMBL3421697)Show InChI InChI=1S/C22H29N3O/c1-2-3-9-14-24-16-19-21(18-12-7-8-13-20(18)24)23-25(22(19)26)15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,2-6,9-11,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334590
(CHEMBL1641956 | N3-(1-Adamantyl)-6-(2-chlorophenyl...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-6-9-30-17-22(25(31)13-24(30)21-7-4-5-8-23(21)28)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,7-8,13,17-20H,2-3,6,9-12,14-16H2,1H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50536919
(CHEMBL4550236)Show SMILES CCS(=O)(=O)Nc1ccc2n(CC3CCC(F)(F)CC3)c(nc2c1)C(C)(C)C Show InChI InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008 BindingDB Entry DOI: 10.7270/Q2B85CPW |
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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting |
Bioorg Med Chem 21: 5383-94 (2013)
Article DOI: 10.1016/j.bmc.2013.06.010 BindingDB Entry DOI: 10.7270/Q27S7RQW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 1 hr by TopCount microplate scintillation count... |
Eur J Med Chem 144: 151-163 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.007 BindingDB Entry DOI: 10.7270/Q2RF5XPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008 BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor (unknown origin) |
Eur J Med Chem 144: 151-163 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.007 BindingDB Entry DOI: 10.7270/Q2RF5XPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334589
(CHEMBL1641955 | N3-(1-Adamantyl)-6-(3-chlorophenyl...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1cccc(Cl)c1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-8-30-17-23(25(31)13-24(30)21-6-5-7-22(28)12-21)26(32)29-27-14-18-9-19(15-27)11-20(10-18)16-27/h5-7,12-13,17-20H,2-4,8-11,14-16H2,1H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50394715
(CHEMBL2165804)Show InChI InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM93025
(CB2 Inhibitor, 1)Show SMILES CCCCCC(C)C(C)c1cc(O)c2C3=C(CCN(C3)C#C)C(C)(C)Oc2c1 |t:14| Show InChI InChI=1S/C25H35NO2/c1-7-9-10-11-17(3)18(4)19-14-22(27)24-20-16-26(8-2)13-12-21(20)25(5,6)28-23(24)15-19/h2,14-15,17-18,27H,7,9-13,16H2,1,3-6H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire de Chimie Thérapeutique
| Assay Description Competitive binding assay using cannabinoid receptors. |
Chem Biol Drug Des 81: 442-454 (2013)
Article DOI: 10.1111/cbdd.12095 BindingDB Entry DOI: 10.7270/Q20000PK |
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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334567
(CHEMBL1641945 | N3-(1-Adamantyl)-4-oxo-1-pentyl-6-...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H34N2O2/c1-2-3-7-10-29-18-23(25(30)14-24(29)22-8-5-4-6-9-22)26(31)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50382491
(CHEMBL2024114 | US10988455, Example 1(xlii))Show InChI InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor (unknown origin) |
Eur J Med Chem 144: 151-163 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.007 BindingDB Entry DOI: 10.7270/Q2RF5XPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50382491
(CHEMBL2024114 | US10988455, Example 1(xlii))Show InChI InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081031
(CHEMBL3421694)Show InChI InChI=1S/C20H27N3O/c1-3-5-9-13-22-15-17-19(16-11-7-8-12-18(16)22)21-23(20(17)24)14-10-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334565
(CHEMBL1641943 | N3-(1-(3,5-Dimethyl)adamantyl)-4-o...)Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:20:19:15:23.13.12,11:12:15.14.21:18,THB:13:14:18:23.12.22,13:12:15.14.21:18,11:12:15:21.19.18,22:12:15:21.19.18,22:19:15:23.13.12| Show InChI InChI=1S/C30H40N2O2/c1-4-5-9-12-32-17-24(26(33)13-25(32)23-10-7-6-8-11-23)27(34)31-21-30-16-22-14-28(2,19-30)18-29(3,15-22)20-30/h6-8,10-11,13,17,22H,4-5,9,12,14-16,18-21H2,1-3H3,(H,31,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50464748
(CHEMBL4284595)Show InChI InChI=1S/C15H10N2O3/c16-9-7-10(12-3-1-5-18-12)14-11(8-9)17-15(20-14)13-4-2-6-19-13/h1-8H,16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes |
Eur J Med Chem 144: 151-163 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.007 BindingDB Entry DOI: 10.7270/Q2RF5XPZ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081029
(CHEMBL3421695)Show InChI InChI=1S/C21H29N3O/c1-3-5-7-11-15-24-21(25)18-16-23(14-10-6-4-2)19-13-9-8-12-17(19)20(18)22-24/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081022
(CHEMBL3421698)Show InChI InChI=1S/C23H31N3O/c1-2-3-9-15-25-17-20-22(19-12-7-8-13-21(19)25)24-26(23(20)27)16-14-18-10-5-4-6-11-18/h7-8,12-13,17-18H,2-6,9-11,14-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008 BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50448270
(CHEMBL2414029)Show SMILES CCCCCOc1ccccc1-c1cc(no1)C(=O)NC12CC3CC1CC(C2)C3 |TLB:23:22:27:24.25,THB:23:24:27:21.22.28,25:26:21:23.24,25:24:21:26.27.28| Show InChI InChI=1S/C24H30N2O3/c1-2-3-6-9-28-21-8-5-4-7-19(21)22-13-20(26-29-22)23(27)25-24-14-16-10-17(15-24)12-18(24)11-16/h4-5,7-8,13,16-18H,2-3,6,9-12,14-15H2,1H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting |
Bioorg Med Chem 21: 5383-94 (2013)
Article DOI: 10.1016/j.bmc.2013.06.010 BindingDB Entry DOI: 10.7270/Q27S7RQW |
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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting |
Bioorg Med Chem 21: 5383-94 (2013)
Article DOI: 10.1016/j.bmc.2013.06.010 BindingDB Entry DOI: 10.7270/Q27S7RQW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081015
(CHEMBL3421696)Show InChI InChI=1S/C19H23N3O/c1-2-3-6-11-21-13-16-18(15-7-4-5-8-17(15)21)20-22(19(16)23)12-14-9-10-14/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334570
((R)-4-Oxo-1-pentyl-6-phenyl-N3-(1-(1,2,3,4-tetrahy...)Show SMILES CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc23)c(=O)cc1-c1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c1-2-3-9-17-29-19-23(26(30)18-25(29)21-12-5-4-6-13-21)27(31)28-24-16-10-14-20-11-7-8-15-22(20)24/h4-8,11-13,15,18-19,24H,2-3,9-10,14,16-17H2,1H3,(H,28,31)/t24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334569
(CHEMBL1641947 | N3-(Cyclohexyl)-4-oxo-1-pentyl-6-p...)Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(23(27)24-19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor (unknown origin) |
Eur J Med Chem 144: 151-163 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.007 BindingDB Entry DOI: 10.7270/Q2RF5XPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50536919
(CHEMBL4550236)Show SMILES CCS(=O)(=O)Nc1ccc2n(CC3CCC(F)(F)CC3)c(nc2c1)C(C)(C)C Show InChI InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008 BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008 BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334591
(CHEMBL1641957 | N3-(1-Adamantyl)-6-(4-methylphenyl...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C28H36N2O2/c1-3-4-5-10-30-18-24(26(31)14-25(30)23-8-6-19(2)7-9-23)27(32)29-28-15-20-11-21(16-28)13-22(12-20)17-28/h6-9,14,18,20-22H,3-5,10-13,15-17H2,1-2H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334568
(CHEMBL1641946 | N3-(1-Adamantyl)-1-hexyl-4-oxo-6-p...)Show SMILES CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:15:16:14.13.19:20,THB:17:16:13:19.18.20,17:18:15.16.21:13,15:14:16.21.17:20| Show InChI InChI=1S/C28H36N2O2/c1-2-3-4-8-11-30-19-24(26(31)15-25(30)23-9-6-5-7-10-23)27(32)29-28-16-20-12-21(17-28)14-22(13-20)18-28/h5-7,9-10,15,19-22H,2-4,8,11-14,16-18H2,1H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50536913
(CHEMBL4517991)Show SMILES CCCCCn1c2ccc(cc2sc1=O)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:19.18.24:25,THB:20:19:21.26.22:25,22:21:18:24.23.25,22:23:20.21.26:18| Show InChI InChI=1S/C23H29NO2S/c1-2-3-4-7-24-19-6-5-18(11-20(19)27-22(24)26)21(25)23-12-15-8-16(13-23)10-17(9-15)14-23/h5-6,11,15-17H,2-4,7-10,12-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008 BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334583
((R,S)-N3-(1-(1-Adamantyl)ethyl)-4-oxo-1-pentyl-6-p...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:11:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,11:13:16:20.19.18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C29H38N2O2/c1-3-4-8-11-31-19-25(27(32)15-26(31)24-9-6-5-7-10-24)28(33)30-20(2)29-16-21-12-22(17-29)14-23(13-21)18-29/h5-7,9-10,15,19-23H,3-4,8,11-14,16-18H2,1-2H3,(H,30,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting |
Bioorg Med Chem 21: 5383-94 (2013)
Article DOI: 10.1016/j.bmc.2013.06.010 BindingDB Entry DOI: 10.7270/Q27S7RQW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 15.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting |
Bioorg Med Chem 21: 5383-94 (2013)
Article DOI: 10.1016/j.bmc.2013.06.010 BindingDB Entry DOI: 10.7270/Q27S7RQW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334566
(CHEMBL1641944 | N3-(1-Adamantyl)-1-butyl-4-oxo-6-p...)Show SMILES CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:13:14:12.11.17:18,THB:15:14:11:17.16.18,15:16:13.14.19:11,13:12:14.19.15:18| Show InChI InChI=1S/C26H32N2O2/c1-2-3-9-28-17-22(24(29)13-23(28)21-7-5-4-6-8-21)25(30)27-26-14-18-10-19(15-26)12-20(11-18)16-26/h4-8,13,17-20H,2-3,9-12,14-16H2,1H3,(H,27,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334577
(CHEMBL1641959 | N3-(1-Adamantyl)-1-pentyl-6-phenyl...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C27H34N2OS/c1-2-3-7-10-29-18-23(25(31)14-24(29)22-8-5-4-6-9-22)26(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50081028
(CHEMBL3421689)Show InChI InChI=1S/C21H27N3O/c1-2-3-9-14-23-15-18-20(17-12-7-8-13-19(17)23)22-24(21(18)25)16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis |
Eur J Med Chem 165: 347-362 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.008 BindingDB Entry DOI: 10.7270/Q2B85CPW |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334586
(CHEMBL1641936 | N3-(1-Adamantyl)-6-methyl-1-pentyl...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19| Show InChI InChI=1S/C22H32N2O2/c1-3-4-5-6-24-14-19(20(25)7-15(24)2)21(26)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h7,14,16-18H,3-6,8-13H2,1-2H3,(H,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50590625
(CHEMBL5206530) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50334581
((6aR,10aR)-6,6-dimethyl-3-(2-methylpentan-2-yl)-6a...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 |r| Show InChI InChI=1S/C21H30O2/c1-6-11-20(2,3)14-7-9-16-17-13-15(22)8-10-18(17)21(4,5)23-19(16)12-14/h7,9,12,17-18H,6,8,10-11,13H2,1-5H3/t17-,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Lille-Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr |
J Med Chem 53: 7918-31 (2010)
Article DOI: 10.1021/jm100286k BindingDB Entry DOI: 10.7270/Q2BR8SFP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224062
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 6: 198-203 (2015)
Article DOI: 10.1021/ml500439x BindingDB Entry DOI: 10.7270/Q20K2B8Z |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50590626
(CHEMBL5199840) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | |