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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 = 'BDBM50288371'   
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))
BDBM50288371
PNG
(CHEMBL4177060 | US11472787, Compound 10,11-EDP-IA)
Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NC(C)CO
Show InChI InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-12-15-18-23-24(29-23)19-16-13-10-11-14-17-20-25(28)26-22(2)21-27/h4-5,7-8,11-16,22-24,27H,3,6,9-10,17-21H2,1-2H3,(H,26,28)/b5-4-,8-7-,14-11-,15-12-,16-13-
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PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 0.0700n/an/an/an/a


TBA

Assay Description
Binding of the parent compounds to putative receptors CNR1 and CNR2 (cannabinoid receptors 1& 2) was measured by a Presto-Tango assay (FIG. 5A and FI...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06SQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50288371
PNG
(CHEMBL4177060 | US11472787, Compound 10,11-EDP-IA)
Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NC(C)CO
Show InChI InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-12-15-18-23-24(29-23)19-16-13-10-11-14-17-20-25(28)26-22(2)21-27/h4-5,7-8,11-16,22-24,27H,3,6,9-10,17-21H2,1-2H3,(H,26,28)/b5-4-,8-7-,14-11-,15-12-,16-13-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0700n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal FLAG-tagged human CB1 receptor transfected in human HTLA cells assessed as induction of beta-arrestin-recruitment afte...


J Med Chem 61: 5569-5579 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00243
BindingDB Entry DOI: 10.7270/Q2P84FDV
More data for this
Ligand-Target Pair