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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 = 'BDBM62389'   
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))
BDBM62389
PNG
(MLS-0425688.0001 | N-[4-(4-methoxyphenyl)-1,3-thia...)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5O2S2/c1-14-11-16-5-3-4-6-19(16)28-21(14)26-27-23(28)32-13-20(29)25-22-24-18(12-31-22)15-7-9-17(30-2)10-8-15/h3-12H,13H2,1-2H3,(H,24,25,29)
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
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/Q2CV4G56
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM62389
PNG
(MLS-0425688.0001 | N-[4-(4-methoxyphenyl)-1,3-thia...)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)n1
Show InChI InChI=1S/C23H19N5O2S2/c1-14-11-16-5-3-4-6-19(16)28-21(14)26-27-23(28)32-13-20(29)25-22-24-18(12-31-22)15-7-9-17(30-2)10-8-15/h3-12H,13H2,1-2H3,(H,24,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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) Net...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair