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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50175109'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50175109
PNG
(CHEMBL199649 | N-(2,4-dimethoxyphenethyl)oleamide)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(OC)cc1OC
Show InChI InChI=1S/C28H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(30)29-23-22-25-20-21-26(31-2)24-27(25)32-3/h11-12,20-21,24H,4-10,13-19,22-23H2,1-3H3,(H,29,30)/b12-11-
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PC cid
PC sid
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Similars

Article
PubMed
600n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor in presence of hydrolase inhibitor PMSF


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50175109
PNG
(CHEMBL199649 | N-(2,4-dimethoxyphenethyl)oleamide)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(OC)cc1OC
Show InChI InChI=1S/C28H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(30)29-23-22-25-20-21-26(31-2)24-27(25)32-3/h11-12,20-21,24H,4-10,13-19,22-23H2,1-3H3,(H,29,30)/b12-11-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
800n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair