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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 = 'BDBM76041'   
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))
BDBM76041
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-pyridylmethyl)di...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H22N6O2/c24-20-17(22(30)26-14-15-6-5-10-25-13-15)12-18-21(29(20)16-7-1-2-8-16)27-19-9-3-4-11-28(19)23(18)31/h3-6,9-13,16,24H,1-2,7-8,14H2,(H,26,30)
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PC cid
PC sid
UniChem

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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))
BDBM76041
PNG
(1-cyclopentyl-2-imino-5-keto-N-(3-pyridylmethyl)di...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H22N6O2/c24-20-17(22(30)26-14-15-6-5-10-25-13-15)12-18-21(29(20)16-7-1-2-8-16)27-19-9-3-4-11-28(19)23(18)31/h3-6,9-13,16,24H,1-2,7-8,14H2,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.94E+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