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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 = 'BDBM50464601'   
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))
BDBM50464601
PNG
(CHEMBL4290707)
Show SMILES CCCCCc1cc(OC(C)=O)c2C3=C(CCC4(C)OC34)C(C)(C)Oc2c1 |t:13|
Show InChI InChI=1S/C23H30O4/c1-6-7-8-9-15-12-17(25-14(2)24)20-18(13-15)26-22(3,4)16-10-11-23(5)21(27-23)19(16)20/h12-13,21H,6-11H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
286n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50464601
PNG
(CHEMBL4290707)
Show SMILES CCCCCc1cc(OC(C)=O)c2C3=C(CCC4(C)OC34)C(C)(C)Oc2c1 |t:13|
Show InChI InChI=1S/C23H30O4/c1-6-7-8-9-15-12-17(25-14(2)24)20-18(13-15)26-22(3,4)16-10-11-23(5)21(27-23)19(16)20/h12-13,21H,6-11H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 573n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair