Found 1999 hits with Last Name = 'de petrocellis' and Initial = 'l' 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)) | 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
Reactome pathway
KEGG
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UniProtKB/TrEMBL
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543739
(CHEMBL4647981)Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543738
(CHEMBL4644215)Show InChI InChI=1S/C26H43NO3/c1-3-4-11-14-22-19-24(29-2)21-25(20-22)30-18-13-10-8-6-5-7-9-12-15-26(28)27-23-16-17-23/h19-21,23H,3-18H2,1-2H3,(H,27,28) | PDB
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UniChem
| Article
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
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
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PC cid
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| PDB
Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
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
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| Purchase
CHEMBL
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PC cid
PC sid
PDB
UniChem
Patents
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| PDB
Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
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
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CHEMBL
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| PDB
Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` del Piemonte Orientale
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cells membrane incubated for 90 mins |
J Nat Prod 74: 2019-22 (2011)
Article DOI: 10.1021/np200500p
BindingDB Entry DOI: 10.7270/Q2BR8SKG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543753
(CHEMBL4644161)Show SMILES CCCCCc1cc(OCCCCCCCCCCC(=O)NC2CC2)cc(OC(C)C)c1 Show InChI InChI=1S/C28H47NO3/c1-4-5-12-15-24-20-26(22-27(21-24)32-23(2)3)31-19-14-11-9-7-6-8-10-13-16-28(30)29-25-17-18-25/h20-23,25H,4-19H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543738
(CHEMBL4644215)Show InChI InChI=1S/C26H43NO3/c1-3-4-11-14-22-19-24(29-2)21-25(20-22)30-18-13-10-8-6-5-7-9-12-15-26(28)27-23-16-17-23/h19-21,23H,3-18H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543756
(CHEMBL4646867)Show InChI InChI=1S/C25H41NO2/c1-2-3-10-14-22-15-13-16-24(21-22)28-20-12-9-7-5-4-6-8-11-17-25(27)26-23-18-19-23/h13,15-16,21,23H,2-12,14,17-20H2,1H3,(H,26,27) | PDB
Reactome pathway
KEGG
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543739
(CHEMBL4647981)Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543755
(CHEMBL4638147)Show SMILES CCCCCc1cc(OCCCCCCCCCCC(=O)NC2CC2)cc(OCC=C)c1 Show InChI InChI=1S/C28H45NO3/c1-3-5-12-15-24-21-26(31-19-4-2)23-27(22-24)32-20-14-11-9-7-6-8-10-13-16-28(30)29-25-17-18-25/h4,21-23,25H,2-3,5-20H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176951
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid cycl...)Show InChI InChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543756
(CHEMBL4646867)Show InChI InChI=1S/C25H41NO2/c1-2-3-10-14-22-15-13-16-24(21-22)28-20-12-9-7-5-4-6-8-11-17-25(27)26-23-18-19-23/h13,15-16,21,23H,2-12,14,17-20H2,1H3,(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543752
(CHEMBL4640400)Show InChI InChI=1S/C27H45NO3/c1-3-5-12-15-23-20-25(30-4-2)22-26(21-23)31-19-14-11-9-7-6-8-10-13-16-27(29)28-24-17-18-24/h20-22,24H,3-19H2,1-2H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543745
(CHEMBL4638446)Show InChI InChI=1S/C26H43NO3/c1-4-6-13-16-23-20-24(29-3)22-25(21-23)30-19-15-12-10-8-7-9-11-14-17-26(28)27-18-5-2/h5,20-22H,2,4,6-19H2,1,3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50055267
(CHEMBL3323682)Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC=C)c1 Show InChI InChI=1S/C26H43NO3/c1-5-7-8-13-16-26(3,4)22-19-23(28)21-24(20-22)30-18-14-11-9-10-12-15-25(29)27-17-6-2/h6,19-21,28H,2,5,7-18H2,1,3-4H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50055267
(CHEMBL3323682)Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC=C)c1 Show InChI InChI=1S/C26H43NO3/c1-5-7-8-13-16-26(3,4)22-19-23(28)21-24(20-22)30-18-14-11-9-10-12-15-25(29)27-17-6-2/h6,19-21,28H,2,5,7-18H2,1,3-4H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543746
(CHEMBL4639040)Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NCC=C)c1 Show InChI InChI=1S/C27H45NO3/c1-6-8-9-14-17-27(3,4)23-20-24(30-5)22-25(21-23)31-19-15-12-10-11-13-16-26(29)28-18-7-2/h7,20-22H,2,6,8-19H2,1,3-5H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
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
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| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` del Piemonte Orientale
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cells membrane incubated for 90 mins |
J Nat Prod 74: 2019-22 (2011)
Article DOI: 10.1021/np200500p
BindingDB Entry DOI: 10.7270/Q2BR8SKG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543741
(CHEMBL4644130)Show InChI InChI=1S/C27H45NO3/c1-3-4-11-14-24-19-25(30-2)21-26(20-24)31-18-13-10-8-6-5-7-9-12-15-27(29)28-22-23-16-17-23/h19-21,23H,3-18,22H2,1-2H3,(H,28,29) | PDB
Reactome pathway
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UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM22988
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | PDB
NCI pathway
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| Article
PubMed
| 11 | -46.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29079
(cyclopropanolamide, 12a | cyclopropanolamide, rac-...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@H]1O |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | -46.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543754
(CHEMBL4648254)Show SMILES CCCCCc1cc(OCCCC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C29H49NO3/c1-3-5-13-16-25-22-27(32-20-6-4-2)24-28(23-25)33-21-15-12-10-8-7-9-11-14-17-29(31)30-26-18-19-26/h22-24,26H,3-21H2,1-2H3,(H,30,31) | PDB
NCI pathway
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| PC cid
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| Article
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543752
(CHEMBL4640400)Show InChI InChI=1S/C27H45NO3/c1-3-5-12-15-23-20-25(30-4-2)22-26(21-23)31-19-14-11-9-7-6-8-10-13-16-27(29)28-24-17-18-24/h20-22,24H,3-19H2,1-2H3,(H,28,29) | PDB
NCI pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50176951
(11-(3-hydroxy-5-pentylphenoxy)undecanoic acid cycl...)Show InChI InChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50055463
(CHEMBL3323672)Show SMILES CCCCCc1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1 |r| Show InChI InChI=1S/C22H37NO4/c1-3-4-8-11-19-14-20(25)16-21(15-19)27-13-10-7-5-6-9-12-22(26)23-18(2)17-24/h14-16,18,24-25H,3-13,17H2,1-2H3,(H,23,26)/t18-/m1/s1 | PDB
NCI pathway
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UniChem
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29078
(cyclopropanolamide, 13a | cyclopropanolamide, rac-...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@@H]1O |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | -45.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543755
(CHEMBL4638147)Show SMILES CCCCCc1cc(OCCCCCCCCCCC(=O)NC2CC2)cc(OCC=C)c1 Show InChI InChI=1S/C28H45NO3/c1-3-5-12-15-24-21-26(31-19-4-2)23-27(22-24)32-20-14-11-9-7-6-8-10-13-16-28(30)29-25-17-18-25/h4,21-23,25H,2-3,5-20H2,1H3,(H,29,30) | PDB
NCI pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50055453
(CHEMBL3323681)Show InChI InChI=1S/C25H41NO3/c1-3-5-12-15-22-19-23(27)21-24(20-22)29-18-14-11-9-7-6-8-10-13-16-25(28)26-17-4-2/h4,19-21,27H,2-3,5-18H2,1H3,(H,26,28) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50055461
(CHEMBL3323674)Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1 |r| Show InChI InChI=1S/C26H45NO4/c1-5-6-7-12-15-26(3,4)22-17-23(29)19-24(18-22)31-16-13-10-8-9-11-14-25(30)27-21(2)20-28/h17-19,21,28-29H,5-16,20H2,1-4H3,(H,27,30)/t21-/m1/s1 | PDB
NCI pathway
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KEGG
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PC sid
UniChem
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29087
(cyclopropanolamide, 14a)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H]1C[C@H]1O |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
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PubMed
| 20 | -44.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z |
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
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PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543753
(CHEMBL4644161)Show SMILES CCCCCc1cc(OCCCCCCCCCCC(=O)NC2CC2)cc(OC(C)C)c1 Show InChI InChI=1S/C28H47NO3/c1-4-5-12-15-24-20-26(22-27(21-24)32-23(2)3)31-19-14-11-9-7-6-8-10-13-16-28(30)29-25-17-18-25/h20-23,25H,4-19H2,1-3H3,(H,29,30) | PDB
NCI pathway
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KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50055460
(CHEMBL3323675)Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)N[C@H](C)CO)c1 |r| Show InChI InChI=1S/C29H51NO4/c1-5-6-7-15-18-29(3,4)25-20-26(32)22-27(21-25)34-19-16-13-11-9-8-10-12-14-17-28(33)30-24(2)23-31/h20-22,24,31-32H,5-19,23H2,1-4H3,(H,30,33)/t24-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
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
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PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543754
(CHEMBL4648254)Show SMILES CCCCCc1cc(OCCCC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C29H49NO3/c1-3-5-13-16-25-22-27(32-20-6-4-2)24-28(23-25)33-21-15-12-10-8-7-9-11-14-17-29(31)30-26-18-19-26/h22-24,26H,3-21H2,1-2H3,(H,30,31) | PDB
Reactome pathway
KEGG
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UniProtKB/TrEMBL
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| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543747
(CHEMBL4635444)Show SMILES CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C25H40F3NO3/c1-3-4-11-14-21-17-22(31-2)19-23(18-21)32-16-13-10-8-6-5-7-9-12-15-24(30)29-20-25(26,27)28/h17-19H,3-16,20H2,1-2H3,(H,29,30) | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543745
(CHEMBL4638446)Show InChI InChI=1S/C26H43NO3/c1-4-6-13-16-23-20-24(29-3)22-25(21-23)30-19-15-12-10-8-7-9-11-14-17-26(28)27-18-5-2/h5,20-22H,2,4,6-19H2,1,3H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543740
(CHEMBL4643098)Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C30H51NO3/c1-5-6-7-15-20-30(2,3)25-22-27(33-4)24-28(23-25)34-21-16-13-11-9-8-10-12-14-17-29(32)31-26-18-19-26/h22-24,26H,5-21H2,1-4H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29078
(cyclopropanolamide, 13a | cyclopropanolamide, rac-...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@@H]1O |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | -43.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50055451
(CHEMBL3323684)Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C25H40F3NO3/c1-4-5-6-11-14-24(2,3)20-16-21(30)18-22(17-20)32-15-12-9-7-8-10-13-23(31)29-19-25(26,27)28/h16-18,30H,4-15,19H2,1-3H3,(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29088
(cyclopropanolamide, 11a)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H]1C[C@@H]1O |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | -43.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543746
(CHEMBL4639040)Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NCC=C)c1 Show InChI InChI=1S/C27H45NO3/c1-6-8-9-14-17-27(3,4)23-20-24(30-5)22-25(21-23)31-19-15-12-10-11-13-16-26(29)28-18-7-2/h7,20-22H,2,6,8-19H2,1,3-5H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29079
(cyclopropanolamide, 12a | cyclopropanolamide, rac-...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@H]1O |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | -43.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543735
(CHEMBL4639172)Show InChI InChI=1S/C25H43NO4/c1-3-4-11-14-22-19-23(29-2)21-24(20-22)30-18-13-10-8-6-5-7-9-12-15-25(28)26-16-17-27/h19-21,27H,3-18H2,1-2H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543734
(CHEMBL4644505)Show InChI InChI=1S/C22H37NO4/c1-3-4-8-11-19-16-20(26-2)18-21(17-19)27-15-10-7-5-6-9-12-22(25)23-13-14-24/h16-18,24H,3-15H2,1-2H3,(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50543744
(CHEMBL4637806)Show InChI InChI=1S/C28H47NO3/c1-3-4-5-12-15-25-19-20-26(22-27(25)31-2)32-21-14-11-9-7-6-8-10-13-16-28(30)29-23-24-17-18-24/h19-20,22,24H,3-18,21,23H2,1-2H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50055461
(CHEMBL3323674)Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1 |r| Show InChI InChI=1S/C26H45NO4/c1-5-6-7-12-15-26(3,4)22-17-23(29)19-24(18-22)31-16-13-10-8-9-11-14-25(30)27-21(2)20-28/h17-19,21,28-29H,5-16,20H2,1-4H3,(H,27,30)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes |
Bioorg Med Chem 22: 4770-83 (2014)
Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50543748
(CHEMBL4633743)Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C26H42F3NO3/c1-5-6-7-12-15-25(2,3)21-17-22(32-4)19-23(18-21)33-16-13-10-8-9-11-14-24(31)30-20-26(27,28)29/h17-19H,5-16,20H2,1-4H3,(H,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2 |
More data for this
Ligand-Target Pair | |
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