Found 211 hits with Last Name = 'fingerle' and Initial = 'j' 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)) | BDBM50429823
(CHEMBL2338173)Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090950
(CHEMBL3582008)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1 Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090950
(CHEMBL3582008)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1 Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090950
(CHEMBL3582008)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1 Show InChI InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50429823
(CHEMBL2338173)Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090922
(CHEMBL3582012)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)N1CC(F)C1 Show InChI InChI=1S/C23H33FN4O4/c1-4-23(5-2,22(30)28-10-16(24)11-28)26-20(29)18-8-9-19(27-12-17(13-27)31-3)21(25-18)32-14-15-6-7-15/h8-9,15-17H,4-7,10-14H2,1-3H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090956
(CHEMBL3582027)Show SMILES CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 Show InChI InChI=1S/C26H37N3O5/c1-4-31-13-14-32-17-26(2,3)22-15-23(34-29-22)28-24(30)21-12-11-20(19-7-5-6-8-19)25(27-21)33-16-18-9-10-18/h11-12,15,18-19H,4-10,13-14,16-17H2,1-3H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090955
(CHEMBL3582026)Show SMILES COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 Show InChI InChI=1S/C25H35N3O5/c1-25(2,16-31-13-12-30-3)21-14-22(33-28-21)27-23(29)20-11-10-19(18-6-4-5-7-18)24(26-20)32-15-17-8-9-17/h10-11,14,17-18H,4-9,12-13,15-16H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090953
(CHEMBL3582024)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 Show InChI InChI=1S/C23H34N2O4/c1-4-23(5-2,22(27)28-6-3)25-20(26)19-14-13-18(17-9-7-8-10-17)21(24-19)29-15-16-11-12-16/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090922
(CHEMBL3582012)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)N1CC(F)C1 Show InChI InChI=1S/C23H33FN4O4/c1-4-23(5-2,22(30)28-10-16(24)11-28)26-20(29)18-8-9-19(27-12-17(13-27)31-3)21(25-18)32-14-15-6-7-15/h8-9,15-17H,4-7,10-14H2,1-3H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090953
(CHEMBL3582024)Show SMILES CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 Show InChI InChI=1S/C23H34N2O4/c1-4-23(5-2,22(27)28-6-3)25-20(26)19-14-13-18(17-9-7-8-10-17)21(24-19)29-15-16-11-12-16/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090949
(CHEMBL3582009)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NC Show InChI InChI=1S/C21H32N4O4/c1-5-21(6-2,20(27)22-3)24-18(26)16-9-10-17(25-11-15(12-25)28-4)19(23-16)29-13-14-7-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,27)(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090954
(CHEMBL3582025)Show SMILES CC(C)(OC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1cc(N)on1 Show InChI InChI=1S/C21H27N3O4/c1-21(2,17-11-18(22)28-24-17)27-20(25)16-10-9-15(14-5-3-4-6-14)19(23-16)26-12-13-7-8-13/h9-11,13-14H,3-8,12,22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090949
(CHEMBL3582009)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NC Show InChI InChI=1S/C21H32N4O4/c1-5-21(6-2,20(27)22-3)24-18(26)16-9-10-17(25-11-15(12-25)28-4)19(23-16)29-13-14-7-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,27)(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429830
(CHEMBL2338182)Show SMILES Cc1cccc2N(CCc12)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C20H25NO/c1-13-3-2-4-18-17(13)5-6-21(18)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090963
(CHEMBL3582018 | US9290451, 86)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC Show InChI InChI=1S/C20H28F2N4O3/c1-4-19(5-2,18(28)23-3)25-16(27)14-8-9-15(26-11-20(21,22)12-26)17(24-14)29-10-13-6-7-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,23,28)(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 179 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429829
(CHEMBL2338183)Show SMILES Fc1ccc2N(CCc2c1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C19H22FNO/c20-16-1-2-17-15(8-16)3-4-21(17)18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090963
(CHEMBL3582018 | US9290451, 86)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC Show InChI InChI=1S/C20H28F2N4O3/c1-4-19(5-2,18(28)23-3)25-16(27)14-8-9-15(26-11-20(21,22)12-26)17(24-14)29-10-13-6-7-13/h8-9,13H,4-7,10-12H2,1-3H3,(H,23,28)(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090956
(CHEMBL3582027)Show SMILES CCOCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 Show InChI InChI=1S/C26H37N3O5/c1-4-31-13-14-32-17-26(2,3)22-15-23(34-29-22)28-24(30)21-12-11-20(19-7-5-6-8-19)25(27-21)33-16-18-9-10-18/h11-12,15,18-19H,4-10,13-14,16-17H2,1-3H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 264 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429826
(CHEMBL2338186)Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090955
(CHEMBL3582026)Show SMILES COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1 Show InChI InChI=1S/C25H35N3O5/c1-25(2,16-31-13-12-30-3)21-14-22(33-28-21)27-23(29)20-11-10-19(18-6-4-5-7-18)24(26-20)32-15-17-8-9-17/h10-11,14,17-18H,4-9,12-13,15-16H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 294 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429824
(CHEMBL2338188)Show SMILES O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc12 |TLB:8:7:11:4.3.2,8:3:6.7.9:11,THB:2:3:6:9.10.11,2:10:6:4.8.3,1:2:6.7.9:11,(54.97,-16.45,;54.99,-18,;53.66,-18.79,;53.65,-20.32,;52.25,-20.67,;50.91,-20.18,;49.71,-21.46,;51.22,-21.04,;52.63,-21.61,;51.22,-19.45,;52.26,-18.21,;50.91,-18.69,;56.34,-18.76,;56.52,-20.29,;58.04,-20.59,;58.79,-19.24,;60.29,-18.91,;60.75,-17.44,;59.69,-16.3,;58.2,-16.64,;57.75,-18.11,)| Show InChI InChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429835
(CHEMBL2338176)Show SMILES COCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)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/C23H31NO3/c1-26-8-9-27-21-6-7-24(20-5-3-2-4-19(20)21)22(25)23-13-16-10-17(14-23)12-18(11-16)15-23/h2-5,16-18,21H,6-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090954
(CHEMBL3582025)Show SMILES CC(C)(OC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1cc(N)on1 Show InChI InChI=1S/C21H27N3O4/c1-21(2,17-11-18(22)28-24-17)27-20(25)16-10-9-15(14-5-3-4-6-14)19(23-16)26-12-13-7-8-13/h9-11,13-14H,3-8,12,22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 352 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50429826
(CHEMBL2338186)Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090957
(CHEMBL3582028)Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 Show InChI InChI=1S/C27H31FN4O3/c1-27(2,15-23-31-32-25(35-23)19-9-11-20(28)12-10-19)30-24(33)22-14-13-21(18-5-3-4-6-18)26(29-22)34-16-17-7-8-17/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 403 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090964
(CHEMBL3582019)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF Show InChI InChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 403 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090957
(CHEMBL3582028)Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 Show InChI InChI=1S/C27H31FN4O3/c1-27(2,15-23-31-32-25(35-23)19-9-11-20(28)12-10-19)30-24(33)22-14-13-21(18-5-3-4-6-18)26(29-22)34-16-17-7-8-17/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 416 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090946
(CHEMBL3582010)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 421 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429833
(CHEMBL2338178)Show SMILES O=C(N1CCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:11:14:18.17.16,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/C19H23NO/c21-18(20-6-5-16-3-1-2-4-17(16)20)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090960
(CHEMBL3582015)Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 466 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429831
(CHEMBL2338181)Show SMILES CC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7| Show InChI InChI=1S/C21H27NO/c1-20(2)13-22(18-6-4-3-5-17(18)20)19(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429832
(CHEMBL2338179)Show SMILES O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 |TLB:1:11:14:18.17.16,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/C19H23NO/c21-18(20-11-16-3-1-2-4-17(16)12-20)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429834
(CHEMBL2338177)Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7| Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429825
(CHEMBL2338187)Show SMILES O=C(N1CCc2ccccc12)C12CC3CC1CC(C2)C3 |TLB:18:17:14:12.11,1:11:14:19.17.16,THB:12:13:16:11.18,12:11:14.13.19:16,18:11:14:19.17.16,1:11:14.13.19:16| Show InChI InChI=1S/C18H21NO/c20-17(19-6-5-14-3-1-2-4-16(14)19)18-10-12-7-13(11-18)9-15(18)8-12/h1-4,12-13,15H,5-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090960
(CHEMBL3582015)Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 504 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429827
(CHEMBL2338185)Show SMILES Cc1cccc2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)c12 |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/C20H25NO/c1-13-3-2-4-17-5-6-21(18(13)17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429837
(CHEMBL2338174)Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090964
(CHEMBL3582019)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF Show InChI InChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 774 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50207795
(CHEMBL246952 | adamantan-1-yl-(3,4-dihydro-2H-quin...)Show SMILES O=C(N1CCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16| Show InChI InChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50429832
(CHEMBL2338179)Show SMILES O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 |TLB:1:11:14:18.17.16,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/C19H23NO/c21-18(20-11-16-3-1-2-4-17(16)12-20)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090946
(CHEMBL3582010)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCF Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 902 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50429836
(CHEMBL2338175)Show SMILES CCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:7:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C22H29NO2/c1-2-25-20-7-8-23(19-6-4-3-5-18(19)20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17,20H,2,7-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090923
(CHEMBL3582013)Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1(CC(N)=O)COC1 Show InChI InChI=1S/C19H26N4O5/c1-26-13-7-23(8-13)15-5-4-14(21-18(15)28-9-12-2-3-12)17(25)22-19(6-16(20)24)10-27-11-19/h4-5,12-13H,2-3,6-11H2,1H3,(H2,20,24)(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50090959
(CHEMBL3582021)Show SMILES CC(C)(Cc1nnc(o1)-c1ccc(F)cc1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 Show InChI InChI=1S/C25H26F3N5O3/c1-24(2,11-20-31-32-22(36-20)16-5-7-17(26)8-6-16)30-21(34)18-9-10-19(33-13-25(27,28)14-33)23(29-18)35-12-15-3-4-15/h5-10,15H,3-4,11-14H2,1-2H3,(H,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50429830
(CHEMBL2338182)Show SMILES Cc1cccc2N(CCc12)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C20H25NO/c1-13-3-2-4-18-17(13)5-6-21(18)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50429835
(CHEMBL2338176)Show SMILES COCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)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/C23H31NO3/c1-26-8-9-27-21-6-7-24(20-5-3-2-4-19(20)21)22(25)23-13-16-10-17(14-23)12-18(11-16)15-23/h2-5,16-18,21H,6-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090958
(CHEMBL3582011)Show SMILES CCC(CC)(NC(=O)c1ccc(N2CC(C2)OC)c(OCC2CC2)n1)C(=O)NCCCF Show InChI InChI=1S/C23H35FN4O4/c1-4-23(5-2,22(30)25-12-6-11-24)27-20(29)18-9-10-19(28-13-17(14-28)31-3)21(26-18)32-15-16-7-8-16/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,25,30)(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes |
J Med Chem 58: 4266-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50429824
(CHEMBL2338188)Show SMILES O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc12 |TLB:8:7:11:4.3.2,8:3:6.7.9:11,THB:2:3:6:9.10.11,2:10:6:4.8.3,1:2:6.7.9:11,(54.97,-16.45,;54.99,-18,;53.66,-18.79,;53.65,-20.32,;52.25,-20.67,;50.91,-20.18,;49.71,-21.46,;51.22,-21.04,;52.63,-21.61,;51.22,-19.45,;52.26,-18.21,;50.91,-18.69,;56.34,-18.76,;56.52,-20.29,;58.04,-20.59,;58.79,-19.24,;60.29,-18.91,;60.75,-17.44,;59.69,-16.3,;58.2,-16.64,;57.75,-18.11,)| Show InChI InChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CB2 receptor |
Bioorg Med Chem Lett 23: 1177-81 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H |
More data for this
Ligand-Target Pair | |
Search and Browse
