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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 = 'BDBM76087'   
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))
BDBM76087
PNG
(2-(2-chlorophenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)cc2)c1C
Show InChI InChI=1S/C27H21ClN4O4S/c1-16-17(2)31-36-27(16)32-37(34,35)19-13-11-18(12-14-19)29-26(33)22-15-25(21-8-3-5-9-23(21)28)30-24-10-6-4-7-20(22)24/h3-15,32H,1-2H3,(H,29,33)
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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))
BDBM76087
PNG
(2-(2-chlorophenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)cc2)c1C
Show InChI InChI=1S/C27H21ClN4O4S/c1-16-17(2)31-36-27(16)32-37(34,35)19-13-11-18(12-14-19)29-26(33)22-15-25(21-8-3-5-9-23(21)28)30-24-10-6-4-7-20(22)24/h3-15,32H,1-2H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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