Found 126 hits with Last Name = 'compton' and Initial = 'dr' 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)) | BDBM50454329
(CHEMBL2112647)Show SMILES [H][C@@]12CC(CO)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCCC(C)(C)C)ccc21 |c:5| Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50053357
((6aR,10aR)-9-Hydroxymethyl-6,6-dimethyl-3-nonyl-6a...)Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-18-15-22(27)24-20-14-19(17-26)12-13-21(20)25(2,3)28-23(24)16-18/h12,15-16,20-21,26-27H,4-11,13-14,17H2,1-3H3/t20-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
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)) | BDBM50053357
((6aR,10aR)-9-Hydroxymethyl-6,6-dimethyl-3-nonyl-6a...)Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H38O3/c1-4-5-6-7-8-9-10-11-18-15-22(27)24-20-14-19(17-26)12-13-21(20)25(2,3)28-23(24)16-18/h12,15-16,20-21,26-27H,4-11,13-14,17H2,1-3H3/t20-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1 |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50053359
((6aR,10aR)-6,6,9-Trimethyl-3-nonyl-6a,7,10,10a-tet...)Show SMILES CCCCCCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-5-6-7-8-9-10-11-12-19-16-22(26)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21,26H,5-12,14-15H2,1-4H3/t20-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1 |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
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
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| 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
(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
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| Purchase
PC cid
PC sid
UniChem
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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
(Rattus norvegicus (rat)) | BDBM50454329
(CHEMBL2112647)Show SMILES [H][C@@]12CC(CO)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCCC(C)(C)C)ccc21 |c:5| Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Clemson University
Curated by ChEMBL
| Assay Description
Ability to bind with Cannabinoid receptor 1 using [H]CP-55940 as radioligand in rat brain membranes |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471438
(CHEMBL122884)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCC Show InChI InChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
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
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| 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 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471436
(CHEMBL123120)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(3,4)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(30)28-25(2)24-29/h8-9,12-15,20,23,25,29H,5-7,10-11,16-19,21-22,24H2,1-4H3,(H,28,30)/b9-8-,14-12-,15-13-,23-20-/t25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50056468
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid pr...)Show InChI InChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50454328
(CHEMBL2112646)Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCCC(C)(C)C)ccc21 |c:4| Show InChI InChI=1S/C25H38O/c1-18-11-14-22-21(16-18)20-13-12-19(17-23(20)26-25(22,5)6)10-8-7-9-15-24(2,3)4/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471437
(CHEMBL121384)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOC Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(2,3)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(29)28-24-25-30-4/h8-9,12-15,20,23H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,28,29)/b9-8-,14-12-,15-13-,23-20- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 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 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471435
(CHEMBL120428)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H](C)CO Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(3,4)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(30)28-25(2)24-29/h8-9,12-15,20,23,25,29H,5-7,10-11,16-19,21-22,24H2,1-4H3,(H,28,30)/b9-8-,14-12-,15-13-,23-20-/t25-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50336997
(2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxa...)Show SMILES C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay |
ACS Med Chem Lett 2: 124-129 (2011)
Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19455
(4-(3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(...)Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H24F6N4O2/c28-26(29,30)21-16-22(27(31,32)33)37-25(34-21)23(24(35-37)18-4-8-19(38)9-5-18)17-6-10-20(11-7-17)39-15-14-36-12-2-1-3-13-36/h4-11,16,38H,1-3,12-15H2 | PDB
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| 7 | -42.6 | n/a | n/a | 90 | n/a | n/a | 7.5 | 0 |
University of Illinois at Urbana
| Assay Description
Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ... |
J Med Chem 50: 399-403 (2007)
Article DOI: 10.1021/jm061035y
BindingDB Entry DOI: 10.7270/Q2QZ288F |
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
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 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
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| PubMed
| 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
(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
(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
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| 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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18161
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PDB
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay |
ACS Med Chem Lett 2: 124-129 (2011)
Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84879
(THC, 5'-F3)Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCC(F)(F)F)cc(O)c21 |t:1| Show InChI InChI=1S/C21H27F3O2/c1-13-7-8-16-15(10-13)19-17(25)11-14(6-4-5-9-21(22,23)24)12-18(19)26-20(16,2)3/h10-12,15-16,25H,4-9H2,1-3H3/t15-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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| 19.9 | 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 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50054472
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r| Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1 | PDB
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PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50287941
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
Patents
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| PubMed
| 22.3 | 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
(Rattus norvegicus (Rat)) | BDBM50061197
((R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-oct...)Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12 Show InChI InChI=1S/C23H32O3/c1-4-5-6-8-15-13-20-21(22-17(15)9-7-12-25-22)18-14-16(24)10-11-19(18)23(2,3)26-20/h13,18-19H,4-12,14H2,1-3H3/t18?,19-/m1/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for Cannabinoid receptor 2 |
J Med Chem 40: 3312-8 (1997)
Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50454328
(CHEMBL2112646)Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCCC(C)(C)C)ccc21 |c:4| Show InChI InChI=1S/C25H38O/c1-18-11-14-22-21(16-18)20-13-12-19(17-23(20)26-25(22,5)6)10-8-7-9-15-24(2,3)4/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1 | PDB
Reactome pathway
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Ability to bind with Cannabinoid receptor 1 using [H]CP-55940 as radioligand in rat brain membranes |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | 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
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19454
(4-[2-(4-hydroxyphenyl)-5,7-bis(trifluoromethyl)pyr...)Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H11F6N3O2/c21-19(22,23)14-9-15(20(24,25)26)29-18(27-14)16(10-1-5-12(30)6-2-10)17(28-29)11-3-7-13(31)8-4-11/h1-9,30-31H | PDB
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| 26 | -39.7 | n/a | n/a | 6.00E+3 | n/a | n/a | 7.5 | 0 |
University of Illinois at Urbana
| Assay Description
Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ... |
J Med Chem 50: 399-403 (2007)
Article DOI: 10.1021/jm061035y
BindingDB Entry DOI: 10.7270/Q2QZ288F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84904
(Bicyclic analogs VIII)Show SMILES CCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 |r| Show InChI InChI=1S/C23H38O2/c1-4-5-6-7-8-9-15-23(2,3)19-13-14-21(22(25)17-19)18-11-10-12-20(24)16-18/h13-14,17-18,20,24-25H,4-12,15-16H2,1-3H3/t18-,20+/m0/s1 | PDB
Reactome pathway
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| 28.5 | 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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| DrugBank
PDB
Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay |
ACS Med Chem Lett 2: 124-129 (2011)
Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471438
(CHEMBL122884)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCC Show InChI InChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21- | PDB
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| Article
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]SR-141,716A as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| 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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
Reactome pathway
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Article
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50061196
(8,8,11-Trimethyl-5-pentyl-3,4,8a,9,10,12a-hexahydr...)Show SMILES CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c2OCCCc12 |c:16| Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h14-15,19-20H,5-13H2,1-4H3 | PDB
Reactome pathway
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for Cannabinoid receptor 2 |
J Med Chem 40: 3312-8 (1997)
Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84909
(THC, 11-OH-delta 9)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PubMed
| 38.4 | 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)) | BDBM50000729
((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |t:11| 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/h11-13,16-17,22H,5-10H2,1-4H3/t16?,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 40.7 | 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)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| 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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1 |
J Med Chem 39: 3875-7 (1996)
Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50061196
(8,8,11-Trimethyl-5-pentyl-3,4,8a,9,10,12a-hexahydr...)Show SMILES CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c2OCCCc12 |c:16| Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h14-15,19-20H,5-13H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for cannabinoid receptor 1. |
J Med Chem 40: 3312-8 (1997)
Article DOI: 10.1021/jm970136g
BindingDB Entry DOI: 10.7270/Q2V123WC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50056461
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)24-21-22-26-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,24,25)/b8-7-,11-10-,14-13-,17-16- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19456
(4-(3-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(t...)Show SMILES CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1 Show InChI InChI=1S/C24H20F6N4O2/c1-33(2)11-12-36-17-9-5-14(6-10-17)20-21(15-3-7-16(35)8-4-15)32-34-19(24(28,29)30)13-18(23(25,26)27)31-22(20)34/h3-10,13,35H,11-12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | -38.3 | n/a | n/a | 1.00E+3 | n/a | n/a | 7.5 | 0 |
University of Illinois at Urbana
| Assay Description
Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ... |
J Med Chem 50: 399-403 (2007)
Article DOI: 10.1021/jm061035y
BindingDB Entry DOI: 10.7270/Q2QZ288F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19454
(4-[2-(4-hydroxyphenyl)-5,7-bis(trifluoromethyl)pyr...)Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H11F6N3O2/c21-19(22,23)14-9-15(20(24,25)26)29-18(27-14)16(10-1-5-12(30)6-2-10)17(28-29)11-3-7-13(31)8-4-11/h1-9,30-31H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | -38.3 | n/a | n/a | 600 | n/a | n/a | 7.5 | 0 |
University of Illinois at Urbana
| Assay Description
Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ... |
J Med Chem 50: 399-403 (2007)
Article DOI: 10.1021/jm061035y
BindingDB Entry DOI: 10.7270/Q2QZ288F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19453
(4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a...)Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-4-2-1-3-5-11)17(28-29)12-6-8-13(30)9-7-12/h1-10,30H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 51 | -38.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 0 |
University of Illinois at Urbana
| Assay Description
Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ... |
J Med Chem 50: 399-403 (2007)
Article DOI: 10.1021/jm061035y
BindingDB Entry DOI: 10.7270/Q2QZ288F |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50471437
(CHEMBL121384)Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOC Show InChI InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(2,3)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(29)28-24-25-30-4/h8-9,12-15,20,23H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,28,29)/b9-8-,14-12-,15-13-,23-20- | PDB
UniProtKB/SwissProt
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 |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]SR-141,716A as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM84889
(THC, 11-OH-delta 8 | 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-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 54.9 | 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 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50060622
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane |
J Med Chem 40: 3626-34 (1997)
Article DOI: 10.1021/jm9702950
BindingDB Entry DOI: 10.7270/Q261131W |
More data for this
Ligand-Target Pair | |
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