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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 = 'BDBM50516289'   
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))
BDBM50516289
PNG
(CHEMBL4527727)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H31NO4/c1-34(23-24-9-4-3-5-10-24)21-8-22-37-28-19-13-25(14-20-28)32(35)31-29-11-6-7-12-30(29)38-33(31)26-15-17-27(36-2)18-16-26/h3-7,9-20H,8,21-23H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516289
PNG
(CHEMBL4527727)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H31NO4/c1-34(23-24-9-4-3-5-10-24)21-8-22-37-28-19-13-25(14-20-28)32(35)31-29-11-6-7-12-30(29)38-33(31)26-15-17-27(36-2)18-16-26/h3-7,9-20H,8,21-23H2,1-2H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.06E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair