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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 = 'BDBM50387887'   
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))
BDBM50387887
PNG
(CHEMBL2057798)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 948n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells assessed as stimulation of [35S]GTPgamma binding incubated for 15 mins prior to [35S]GT...


J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50387887
PNG
(CHEMBL2057798)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 948n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as [35S]-GTPgammaS binding preincubated for 25 mins measured after 30 mins by ...


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair