Found 16 hits of Enzyme Inhibition Constant Data 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)) | 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
(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
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 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
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
(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
UniProtKB/TrEMBL
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
UniProtKB/TrEMBL
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 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
UniProtKB/TrEMBL
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 2
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21.5 | 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 2
(Homo sapiens (Human)) | BDBM50221708
(11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)Show SMILES CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1 Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-22-29(3,4)26-18-20-27(21-19-26)33-23-16-13-11-9-8-10-12-14-17-28(32)30-25(2)24-31/h8,10-11,13,18-21,25,31H,5-7,9,12,14-17,22-24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78.2 | 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)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 79.0 | 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)) | BDBM50221712
(12-[2-(1,1-dimethylheptyl)phenyl]dodeca-5,8,11-tri...)Show SMILES CCCCCCC(C)(C)c1ccccc1\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO Show InChI InChI=1S/C30H47NO2/c1-5-6-7-19-24-30(3,4)28-22-18-17-21-27(28)20-15-13-11-9-8-10-12-14-16-23-29(33)31-26(2)25-32/h9-12,15,17-18,20-22,26,32H,5-8,13-14,16,19,23-25H2,1-4H3,(H,31,33)/b11-9-,12-10-,20-15-/t26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 86.3 | 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)) | BDBM50221709
((5Z,8Z,11Z)-N-((R)-1-hydroxypropan-2-yl)-14-(3-(2-...)Show SMILES CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1 Show InChI InChI=1S/C32H51NO3/c1-5-6-7-18-24-32(3,4)29-21-20-22-30(26-29)36-25-19-16-14-12-10-8-9-11-13-15-17-23-31(35)33-28(2)27-34/h8,10-11,13-14,16,20-22,26,28,34H,5-7,9,12,15,17-19,23-25,27H2,1-4H3,(H,33,35)/b10-8-,13-11-,16-14-/t28-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 131 | 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)) | BDBM50221709
((5Z,8Z,11Z)-N-((R)-1-hydroxypropan-2-yl)-14-(3-(2-...)Show SMILES CCCCCCC(C)(C)c1cccc(OCC\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)c1 Show InChI InChI=1S/C32H51NO3/c1-5-6-7-18-24-32(3,4)29-21-20-22-30(26-29)36-25-19-16-14-12-10-8-9-11-13-15-17-23-31(35)33-28(2)27-34/h8,10-11,13-14,16,20-22,26,28,34H,5-7,9,12,15,17-19,23-25,27H2,1-4H3,(H,33,35)/b10-8-,13-11-,16-14-/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 189 | 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)) | BDBM50221708
(11-[4-(1,1-dimethylheptyl)phenoxy]undeca-5,8-dieno...)Show SMILES CCCCCCC(C)(C)c1ccc(OCC\C=C/C\C=C/CCCC(=O)N[C@H](C)CO)cc1 Show InChI InChI=1S/C29H47NO3/c1-5-6-7-15-22-29(3,4)26-18-20-27(21-19-26)33-23-16-13-11-9-8-10-12-14-17-28(32)30-25(2)24-31/h8,10-11,13,18-21,25,31H,5-7,9,12,14-17,22-24H2,1-4H3,(H,30,32)/b10-8-,13-11-/t25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 195 | 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)) | BDBM50221712
(12-[2-(1,1-dimethylheptyl)phenyl]dodeca-5,8,11-tri...)Show SMILES CCCCCCC(C)(C)c1ccccc1\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO Show InChI InChI=1S/C30H47NO2/c1-5-6-7-19-24-30(3,4)28-22-18-17-21-27(28)20-15-13-11-9-8-10-12-14-16-23-29(33)31-26(2)25-32/h9-12,15,17-18,20-22,26,32H,5-8,13-14,16,19,23-25H2,1-4H3,(H,31,33)/b11-9-,12-10-,20-15-/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 257 | 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 | |
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