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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 = 'BDBM76034'   
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))
BDBM76034
PNG
(2-(3-methylphenoxy)-1-[4-(2-methyl-5,6,7,8-tetrahy...)
Show SMILES Cc1cccc(OCC(=O)N2CCN(CC2)c2nc(C)nc3sc4CCCCc4c23)c1
Show InChI InChI=1S/C24H28N4O2S/c1-16-6-5-7-18(14-16)30-15-21(29)27-10-12-28(13-11-27)23-22-19-8-3-4-9-20(19)31-24(22)26-17(2)25-23/h5-7,14H,3-4,8-13,15H2,1-2H3
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a>1.10E+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))
BDBM76034
PNG
(2-(3-methylphenoxy)-1-[4-(2-methyl-5,6,7,8-tetrahy...)
Show SMILES Cc1cccc(OCC(=O)N2CCN(CC2)c2nc(C)nc3sc4CCCCc4c23)c1
Show InChI InChI=1S/C24H28N4O2S/c1-16-6-5-7-18(14-16)30-15-21(29)27-10-12-28(13-11-27)23-22-19-8-3-4-9-20(19)31-24(22)26-17(2)25-23/h5-7,14H,3-4,8-13,15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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