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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM76091'   
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 2


(Homo sapiens (Human))
BDBM76091
PNG
(2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benz...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C19H26N4OS/c1-12(2)19(24)23-10-8-22(9-11-23)17-16-14-6-4-5-7-15(14)25-18(16)21-13(3)20-17/h12H,4-11H2,1-3H3
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM76091
PNG
(2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benz...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C19H26N4OS/c1-12(2)19(24)23-10-8-22(9-11-23)17-16-14-6-4-5-7-15(14)25-18(16)21-13(3)20-17/h12H,4-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair