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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 = 'BDBM76049'   
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))
BDBM76049
PNG
(1-cyclopentyl-2-imino-5-keto-N-phenethyl-dipyrido[...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H25N5O2/c26-22-19(24(31)27-14-13-17-8-2-1-3-9-17)16-20-23(30(22)18-10-4-5-11-18)28-21-12-6-7-15-29(21)25(20)32/h1-3,6-9,12,15-16,18,26H,4-5,10-11,13-14H2,(H,27,31)
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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))
BDBM76049
PNG
(1-cyclopentyl-2-imino-5-keto-N-phenethyl-dipyrido[...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H25N5O2/c26-22-19(24(31)27-14-13-17-8-2-1-3-9-17)16-20-23(30(22)18-10-4-5-11-18)28-21-12-6-7-15-29(21)25(20)32/h1-3,6-9,12,15-16,18,26H,4-5,10-11,13-14H2,(H,27,31)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.61E+3n/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