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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 = 'BDBM76035'   
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))
BDBM76035
PNG
(MLS-0437134.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccccc3)c21
Show InChI InChI=1S/C23H26N4OS/c1-15-8-9-18-19(14-15)29-22-20(18)21(24-16(2)25-22)26-10-12-27(13-11-26)23(28)17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>9.18E+3n/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))
BDBM76035
PNG
(MLS-0437134.0001 | [4-(2,7-dimethyl-5,6,7,8-tetrah...)
Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccccc3)c21
Show InChI InChI=1S/C23H26N4OS/c1-15-8-9-18-19(14-15)29-22-20(18)21(24-16(2)25-22)26-10-12-27(13-11-26)23(28)17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.41E+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