Found 244 hits with Last Name = 'razdan' and Initial = 'rk' 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)) | BDBM50061108
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1 Show InChI InChI=1S/C25H34O3/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/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 1 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50061108
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1 Show InChI InChI=1S/C25H34O3/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/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 2 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067740
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |t:1| Show InChI InChI=1S/C24H33NO2/c1-16-9-10-19-18(13-16)22-20(26)14-17(15-21(22)27-24(19,4)5)23(2,3)11-7-6-8-12-25/h9,14-15,18-19,26H,6-8,10-11,13H2,1-5H3/t18-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067742
(7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCC#N |t:1| Show InChI InChI=1S/C25H35NO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-12,14H2,1-5H3/t19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84905
(THC-DMH, (-)-11-OH)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3C=C(CO)CC[C@@H]3C(C)(C)Oc2c1 |t:15| 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/h13-15,19-20,26-27H,6-12,16H2,1-5H3/t19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067741
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CN(C)C(=O)CCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C26H39NO3/c1-17-11-12-20-19(14-17)24-21(28)15-18(16-22(24)30-26(20,4)5)25(2,3)13-9-8-10-23(29)27(6)7/h11,15-16,19-20,28H,8-10,12-14H2,1-7H3/t19-,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50061113
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 1 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50092584
(CHEMBL331838 | [3-(1,1-Dimethyl-heptyl)-6,6-dimeth...)Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1 Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 2 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060612
((5Z,8Z,11Z,14Z)-2,16,16-Trimethyl-docosa-5,8,11,14...)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C27H46FNO/c1-5-6-7-18-21-27(3,4)22-19-16-14-12-10-8-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h8-9,12-15,19,22,25H,5-7,10-11,16-18,20-21,23-24H2,1-4H3,(H,29,30)/b9-8-,14-12-,15-13-,22-19- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84888
(CAS_107822 | CAS_71048-87-8 | Levonantradol | NSC_...)Show SMILES CC(CCCc1ccccc1)Oc1cc2NC(C)C3CCC(O)CC3c2c(OC(C)=O)c1 Show InChI InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067730
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(=O)NN1CCCCC1 |t:1| Show InChI InChI=1S/C29H44N2O3/c1-20-12-13-23-22(17-20)27-24(32)18-21(19-25(27)34-29(23,4)5)28(2,3)14-8-7-11-26(33)30-31-15-9-6-10-16-31/h12,18-19,22-23,32H,6-11,13-17H2,1-5H3,(H,30,33)/t22-,23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50061113
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Adenylylcyclase in cannabinoid receptor 2 (CB2) . |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84907
(Bicyclic analogs XVI)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCCO)c(O)c1 |r| Show InChI InChI=1S/C25H42O3/c1-4-5-6-8-15-25(2,3)20-12-14-22(24(28)17-20)23-18-21(27)13-11-19(23)10-7-9-16-26/h12,14,17,19,21,23,26-28H,4-11,13,15-16,18H2,1-3H3/t19-,21-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 1.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84896
(DMHP, 1', 2')Show SMILES CCCCCC(C)C(C)c1cc(O)c2C3=C(CCC(C)C3)C(C)(C)Oc2c1 |t:14| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h14-18,26H,7-13H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50071414
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-6,6,9-t...)Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h11,14-15,17-18,20-21,26H,7-10,12-13H2,1-6H3/t17-,18+,20-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50092584
(CHEMBL331838 | [3-(1,1-Dimethyl-heptyl)-6,6-dimeth...)Show SMILES CCCCCCC(C)(C)c1ccc-2c(OC(C)(C)c3ccc(CO)cc-23)c1 Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-13,15-16,26H,6-9,14,17H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 1 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50061113
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of Adenylylcyclase in cannabinoid receptor 1 (CB1) . |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50061113
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for cannabinoid receptor 2 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50221714
(11-[3-(5-azido-1,1-dimethylpentyl)phenoxy]undeca-5...)Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCN=[N+]=[N-] Show InChI InChI=1S/C27H42N4O3/c1-23(22-32)30-26(33)17-10-8-6-4-5-7-9-13-20-34-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29-31-28/h4,6-7,9,14-16,21,23,32H,5,8,10-13,17-20,22H2,1-3H3,(H,30,33)/b6-4-,9-7-/t23-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50221714
(11-[3-(5-azido-1,1-dimethylpentyl)phenoxy]undeca-5...)Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCN=[N+]=[N-] Show InChI InChI=1S/C27H42N4O3/c1-23(22-32)30-26(33)17-10-8-6-4-5-7-9-13-20-34-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29-31-28/h4,6-7,9,14-16,21,23,32H,5,8,10-13,17-20,22H2,1-3H3,(H,30,33)/b6-4-,9-7-/t23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50092588
(4-(1,1-Dimethyl-heptyl)-2'-isopropyl-5'-methyl-bip...)Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)ccc1C(C)C Show InChI InChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3 | PDB
Reactome pathway
KEGG
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 2 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067737
(4-(5-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCOc1ccc(cc1)C#N |t:1| Show InChI InChI=1S/C30H37NO3/c1-20-8-13-25-24(16-20)28-26(32)17-22(18-27(28)34-30(25,4)5)29(2,3)14-6-7-15-33-23-11-9-21(19-31)10-12-23/h8-12,17-18,24-25,32H,6-7,13-16H2,1-5H3/t24-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50221715
(11-[3-(5-cyano-1,1-dimethylpentyl)phenoxy]-undeca-...)Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCC#N Show InChI InChI=1S/C27H40N2O3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-18,20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 3.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060615
((5Z,8Z,11Z,14Z)-2,17-Dimethyl-docosa-5,8,11,14-tet...)Show SMILES CCCCCC(C)C\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C26H44FNO/c1-4-5-16-19-24(2)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(3)26(29)28-23-22-27/h7-10,13-15,17,24-25H,4-6,11-12,16,18-23H2,1-3H3,(H,28,29)/b9-7-,10-8-,15-13-,17-14- | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50092586
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1 Show InChI InChI=1S/C26H34O4/c1-7-8-9-10-13-25(2,3)18-15-21(27)23-19-14-17(24(28)29-6)11-12-20(19)26(4,5)30-22(23)16-18/h11-12,14-16,27H,7-10,13H2,1-6H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 2 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84923
(Bicyclic analogs VII)Show SMILES CCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 |r| Show InChI InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3/t17-,19+/m0/s1 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
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| 4.73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060608
((5Z,8Z,11Z,14Z)-2,16-Dimethyl-docosa-5,8,11,14-tet...)Show SMILES CCCCCCC(C)\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C26H44FNO/c1-4-5-6-16-19-24(2)20-17-14-12-10-8-7-9-11-13-15-18-21-25(3)26(29)28-23-22-27/h7,9-10,12-13,15,17,20,24-25H,4-6,8,11,14,16,18-19,21-23H2,1-3H3,(H,28,29)/b9-7-,12-10-,15-13-,20-17- | PDB
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| CHEMBL
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PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50221715
(11-[3-(5-cyano-1,1-dimethylpentyl)phenoxy]-undeca-...)Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCC#N Show InChI InChI=1S/C27H40N2O3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-18,20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 5.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060617
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16- | PDB
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50060617
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16- | PDB
Reactome pathway
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for binding affinity towards cannabinoid receptor in rat brain P2 membrane |
Bioorg Med Chem Lett 7: 2669-2672 (1997)
Article DOI: 10.1016/S0960-894X(97)10047-6
BindingDB Entry DOI: 10.7270/Q26Q1X8V |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50092590
(3-(1,1-Dimethyl-butyl)-6,6,9-trimethyl-6H-benzo[c]...)Show SMILES CCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 Show InChI InChI=1S/C22H28O2/c1-7-10-21(3,4)15-12-18(23)20-16-11-14(2)8-9-17(16)22(5,6)24-19(20)13-15/h8-9,11-13,23H,7,10H2,1-6H3 | PDB
Reactome pathway
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 2 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84894
(Bicyclic analogs XI | Bicyclic analogs XII)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2C)c(O)c1 |r| Show InChI InChI=1S/C22H36O2/c1-5-6-7-8-13-22(3,4)17-10-12-19(21(24)14-17)20-15-18(23)11-9-16(20)2/h10,12,14,16,18,20,23-24H,5-9,11,13,15H2,1-4H3/t16-,18-,20-/m1/s1 | PDB
Reactome pathway
KEGG
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| PC cid
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| PubMed
| 6.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060605
((5Z,8Z,11Z,14Z)-16,16-Dimethyl-docosa-5,8,11,14-te...)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,29)/b8-7-,13-11-,14-12-,22-19- | PDB
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| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50221711
(11-[3-(5-bromo-1,1-dimethylpentyl)phenoxy]-undeca-...)Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCBr Show InChI InChI=1S/C27H42BrNO3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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PubMed
| 7.46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84883
(THC, 5'-Br)Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCCBr)cc(O)c21 |t:1| Show InChI InChI=1S/C21H29BrO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h11-13,16-17,23H,4-10H2,1-3H3/t16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
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| 7.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84894
(Bicyclic analogs XI | Bicyclic analogs XII)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2C)c(O)c1 |r| Show InChI InChI=1S/C22H36O2/c1-5-6-7-8-13-22(3,4)17-10-12-19(21(24)14-17)20-15-18(23)11-9-16(20)2/h10,12,14,16,18,20,23-24H,5-9,11,13,15H2,1-4H3/t16-,18-,20-/m1/s1 | PDB
Reactome pathway
KEGG
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| PC cid
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| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060618
((5Z,8Z,11Z,14Z)-2,17,17-Trimethyl-docosa-5,8,11,14...)Show SMILES CCCCCC(C)(C)C\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C27H46FNO/c1-5-6-18-21-27(3,4)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h7,9-10,12-13,15-16,19,25H,5-6,8,11,14,17-18,20-24H2,1-4H3,(H,29,30)/b9-7-,12-10-,15-13-,19-16- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84898
(THC, 5'-I)Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCCI)cc(O)c21 |t:1| Show InChI InChI=1S/C21H29IO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h11-13,16-17,23H,4-10H2,1-3H3/t16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 7.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060604
((5Z,8Z,11Z,14Z)-2-Methyl-tricosa-5,8,11,14-tetraen...)Show SMILES CCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C26H44FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2)26(29)28-24-23-27/h10-11,13-14,16-17,19-20,25H,3-9,12,15,18,21-24H2,1-2H3,(H,28,29)/b11-10-,14-13-,17-16-,20-19- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50221710
(11-[3-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)Show SMILES CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1 Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-21-29(3,4)26-18-17-19-27(23-26)33-22-16-13-11-9-8-10-12-14-20-28(32)30-25(2)24-31/h8,10-11,13,17-19,23,25,31H,5-7,9,12,14-16,20-22,24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50221711
(11-[3-(5-bromo-1,1-dimethylpentyl)phenoxy]-undeca-...)Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCBr Show InChI InChI=1S/C27H42BrNO3/c1-23(22-30)29-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-28/h4,6-7,9,14-16,21,23,30H,5,8,10-13,17-20,22H2,1-3H3,(H,29,31)/b6-4-,9-7-/t23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067732
(7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(C#N)c1ccccc1 |t:1| Show InChI InChI=1S/C31H39NO2/c1-21-14-15-26-25(17-21)29-27(33)18-24(19-28(29)34-31(26,4)5)30(2,3)16-10-9-13-23(20-32)22-11-7-6-8-12-22/h6-8,11-12,14,18-19,23,25-26,33H,9-10,13,15-17H2,1-5H3/t23?,25-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84884
(Bicyclic analogs IV)Show SMILES CCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 |r| Show InChI InChI=1S/C19H30O2/c1-4-5-11-19(2,3)15-9-10-17(18(21)13-15)14-7-6-8-16(20)12-14/h9-10,13-14,16,20-21H,4-8,11-12H2,1-3H3/t14-,16+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 9.54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 218-26 (1993)
BindingDB Entry DOI: 10.7270/Q2HH6HM0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50221713
(11-[3-(5-hydroxy-1,1-dimethylpentyl)phenoxy]-undec...)Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCO Show InChI InChI=1S/C27H43NO4/c1-23(22-30)28-26(31)17-10-8-6-4-5-7-9-13-20-32-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29/h4,6-7,9,14-16,21,23,29-30H,5,8,10-13,17-20,22H2,1-3H3,(H,28,31)/b6-4-,9-7-/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem 15: 7850-64 (2007)
Article DOI: 10.1016/j.bmc.2007.08.039
BindingDB Entry DOI: 10.7270/Q2348K3B |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50060611
((5Z,8Z,11Z,14Z)-17-Methyl-docosa-5,8,11,14-tetraen...)Show SMILES CCCCCC(C)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26,28)/b7-5-,10-8-,13-11-,17-14- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF) |
J Med Chem 40: 3617-25 (1997)
Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067738
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CCN(CC)C(=O)CCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:22| Show InChI InChI=1S/C28H43NO3/c1-8-29(9-2)25(31)12-10-11-15-27(4,5)20-17-23(30)26-21-16-19(3)13-14-22(21)28(6,7)32-24(26)18-20/h13,17-18,21-22,30H,8-12,14-16H2,1-7H3/t21-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067736
(2-Hydroxy-6-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCC(O)C#N |t:1| Show InChI InChI=1S/C24H33NO3/c1-15-8-9-19-18(11-15)22-20(27)12-16(13-21(22)28-24(19,4)5)23(2,3)10-6-7-17(26)14-25/h8,12-13,17-19,26-27H,6-7,9-11H2,1-5H3/t17?,18-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) |
J Med Chem 41: 4400-7 (1998)
Article DOI: 10.1021/jm9803875
BindingDB Entry DOI: 10.7270/Q2M909CZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50092586
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(=O)OC)c1 Show InChI InChI=1S/C26H34O4/c1-7-8-9-10-13-25(2,3)18-15-21(27)23-19-14-17(24(28)29-6)11-12-20(19)26(4,5)30-22(23)16-18/h11-12,14-16,27H,7-10,13H2,1-6H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity was determined for Cannabinoid receptor 1 |
J Med Chem 43: 3778-85 (2000)
BindingDB Entry DOI: 10.7270/Q27M0754 |
More data for this
Ligand-Target Pair | |
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