Found 14 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50067734' 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 1
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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PubMed
| 28.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor (unknown origin) |
Bioorg Med Chem 17: 2598-606 (2009)
Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| 28.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 19: 1691-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.100
BindingDB Entry DOI: 10.7270/Q2SX6D3N |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| 28.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 6489-500 (2008)
Article DOI: 10.1016/j.bmc.2008.05.034
BindingDB Entry DOI: 10.7270/Q2CC10GG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| Article
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| 47.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from rat brain CB1 receptor |
Bioorg Med Chem Lett 16: 1616-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.026
BindingDB Entry DOI: 10.7270/Q2833RMF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| 47.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55,940 binding to cannabinoid receptor 1 of rat brain |
J Med Chem 48: 4576-85 (2005)
Article DOI: 10.1021/jm058175c
BindingDB Entry DOI: 10.7270/Q20K283W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway
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| Article
PubMed
| 47.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| 47.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane |
J Med Chem 51: 6393-9 (2008)
Article DOI: 10.1021/jm8005299
BindingDB Entry DOI: 10.7270/Q2PV6K6F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55,940 from purified rat forbrain synaptosomes |
Bioorg Med Chem Lett 12: 3583-6 (2002)
BindingDB Entry DOI: 10.7270/Q2K936VT |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysis |
J Med Chem 56: 10142-57 (2013)
Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to rat CB1 receptor |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044
BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway
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| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi... |
J Nat Prod 78: 1271-6 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| 703 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes. |
Bioorg Med Chem Lett 9: 2119-24 (1999)
BindingDB Entry DOI: 10.7270/Q2N015QC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067734
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description
Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor |
J Med Chem 49: 554-66 (2006)
Article DOI: 10.1021/jm0505157
BindingDB Entry DOI: 10.7270/Q2PN98DG |
More data for this
Ligand-Target Pair | |
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