Found 2 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)) | BDBM50492297
(CHEMBL2397751)Show SMILES CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C |(2.88,-6.78,;4.21,-6.01,;5.54,-6.78,;6.88,-6.01,;6.88,-4.47,;8.21,-6.78,;8.21,-8.33,;6.87,-9.1,;9.54,-9.1,;10.87,-8.32,;12.2,-9.09,;13.54,-8.33,;14.88,-9.1,;16.21,-8.33,;17.54,-9.11,;17.54,-10.65,;18.88,-8.34,;20.21,-9.11,;21.55,-8.35,;22.88,-9.12,;13.55,-6.78,;14.88,-6.01,;16.21,-6.79,;17.55,-6.03,;17.55,-4.49,;16.21,-3.71,;14.88,-4.48,;13.55,-3.72,;12.05,-3.31,;13.14,-5.2,;13.54,-2.18,;12.21,-1.41,;12.21,-6,;12.21,-4.46,;10.87,-6.78,;9.54,-6.01,;9.53,-4.47,)| Show InChI InChI=1S/C24H28N4O8S/c1-5-35-23(31)20-14(2)12-16-21(15(20)3)22(30)28(19(27-16)13-36-24(32)26-10-11-29)17-8-6-7-9-18(17)37(33,34)25-4/h6-9,12,25,29H,5,10-11,13H2,1-4H3,(H,26,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at CB2 receptor (unknown origin) |
J Med Chem 56: 5464-72 (2013)
Article DOI: 10.1021/jm4004939
BindingDB Entry DOI: 10.7270/Q2833VZ5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50492297
(CHEMBL2397751)Show SMILES CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C |(2.88,-6.78,;4.21,-6.01,;5.54,-6.78,;6.88,-6.01,;6.88,-4.47,;8.21,-6.78,;8.21,-8.33,;6.87,-9.1,;9.54,-9.1,;10.87,-8.32,;12.2,-9.09,;13.54,-8.33,;14.88,-9.1,;16.21,-8.33,;17.54,-9.11,;17.54,-10.65,;18.88,-8.34,;20.21,-9.11,;21.55,-8.35,;22.88,-9.12,;13.55,-6.78,;14.88,-6.01,;16.21,-6.79,;17.55,-6.03,;17.55,-4.49,;16.21,-3.71,;14.88,-4.48,;13.55,-3.72,;12.05,-3.31,;13.14,-5.2,;13.54,-2.18,;12.21,-1.41,;12.21,-6,;12.21,-4.46,;10.87,-6.78,;9.54,-6.01,;9.53,-4.47,)| Show InChI InChI=1S/C24H28N4O8S/c1-5-35-23(31)20-14(2)12-16-21(15(20)3)22(30)28(19(27-16)13-36-24(32)26-10-11-29)17-8-6-7-9-18(17)37(33,34)25-4/h6-9,12,25,29H,5,10-11,13H2,1-4H3,(H,26,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at CB1 receptor (unknown origin) |
J Med Chem 56: 5464-72 (2013)
Article DOI: 10.1021/jm4004939
BindingDB Entry DOI: 10.7270/Q2833VZ5 |
More data for this
Ligand-Target Pair | |
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