Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50044268 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
(Rattus norvegicus (rat)) | BDBM50010983
(CHEMBL3265176)Show SMILES [H][C@@]12COC(=O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |r| Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-19(25)22-17-15-27-21(26)11-10-18(17)24(4,5)28-20(22)14-16/h13-14,17-18,25H,6-12,15H2,1-5H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | 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 rat brain CB1 receptor |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 40 | 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 mouse brain CB2 receptor expressed in HEK293 cells |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 40 | 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 rat brain CB1 receptor |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50010983
(CHEMBL3265176)Show SMILES [H][C@@]12COC(=O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |r| Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-19(25)22-17-15-27-21(26)11-10-18(17)24(4,5)28-20(22)14-16/h13-14,17-18,25H,6-12,15H2,1-5H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52 | 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 human brain CB2 receptor expressed in HEK293 cells |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50010982
(CHEMBL3265175 | US10882838, Example 3.11)Show SMILES [H][C@@]12CC(=O)OCC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |r| Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-11-23(2,3)16-13-19(25)22-17-15-21(26)27-12-10-18(17)24(4,5)28-20(22)14-16/h13-14,17-18,25H,6-12,15H2,1-5H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 99 | 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 rat brain CB1 receptor |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50010985
(CHEMBL3265174)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H](CO)[C@@H](CCC(O)=O)C(C)(C)Oc2c1 |r| Show InChI InChI=1S/C24H38O5/c1-6-7-8-9-12-23(2,3)16-13-19(26)22-17(15-25)18(10-11-21(27)28)24(4,5)29-20(22)14-16/h13-14,17-18,25-26H,6-12,15H2,1-5H3,(H,27,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | 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 mouse brain CB2 receptor expressed in HEK293 cells |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50010984
(CHEMBL3265173)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H](CC(O)=O)[C@@H](CCO)C(C)(C)Oc2c1 |r| Show InChI InChI=1S/C24H38O5/c1-6-7-8-9-11-23(2,3)16-13-19(26)22-17(15-21(27)28)18(10-12-25)24(4,5)29-20(22)14-16/h13-14,17-18,25-26H,6-12,15H2,1-5H3,(H,27,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | 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 rat brain CB1 receptor |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50010984
(CHEMBL3265173)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H](CC(O)=O)[C@@H](CCO)C(C)(C)Oc2c1 |r| Show InChI InChI=1S/C24H38O5/c1-6-7-8-9-11-23(2,3)16-13-19(26)22-17(15-21(27)28)18(10-12-25)24(4,5)29-20(22)14-16/h13-14,17-18,25-26H,6-12,15H2,1-5H3,(H,27,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | 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 human brain CB2 receptor expressed in HEK293 cells |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50010985
(CHEMBL3265174)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H](CO)[C@@H](CCC(O)=O)C(C)(C)Oc2c1 |r| Show InChI InChI=1S/C24H38O5/c1-6-7-8-9-12-23(2,3)16-13-19(26)22-17(15-25)18(10-11-21(27)28)24(4,5)29-20(22)14-16/h13-14,17-18,25-26H,6-12,15H2,1-5H3,(H,27,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | 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 rat brain CB1 receptor |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50010984
(CHEMBL3265173)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H](CC(O)=O)[C@@H](CCO)C(C)(C)Oc2c1 |r| Show InChI InChI=1S/C24H38O5/c1-6-7-8-9-11-23(2,3)16-13-19(26)22-17(15-21(27)28)18(10-12-25)24(4,5)29-20(22)14-16/h13-14,17-18,25-26H,6-12,15H2,1-5H3,(H,27,28)/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | 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 mouse brain CB2 receptor expressed in HEK293 cells |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50010983
(CHEMBL3265176)Show SMILES [H][C@@]12COC(=O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |r| Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-19(25)22-17-15-27-21(26)11-10-18(17)24(4,5)28-20(22)14-16/h13-14,17-18,25H,6-12,15H2,1-5H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 184 | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP level |
ACS Med Chem Lett 5: 400-4 (2014)
Article DOI: 10.1021/ml4005304
BindingDB Entry DOI: 10.7270/Q2TQ632Q |
More data for this
Ligand-Target Pair | |
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