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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM76088'   
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 1


(Homo sapiens (Human))
BDBM76088
PNG
(MLS-0295640.0001 | N-[4-[(3,4-dimethyl-1,2-oxazol-...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)c2ccccc2n1
Show InChI InChI=1S/C28H24N4O5S/c1-17-18(2)31-37-28(17)32-38(34,35)22-14-10-20(11-15-22)29-27(33)24-16-26(19-8-12-21(36-3)13-9-19)30-25-7-5-4-6-23(24)25/h4-16,32H,1-3H3,(H,29,33)
PDB

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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.69E+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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76088
PNG
(MLS-0295640.0001 | N-[4-[(3,4-dimethyl-1,2-oxazol-...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)c2ccccc2n1
Show InChI InChI=1S/C28H24N4O5S/c1-17-18(2)31-37-28(17)32-38(34,35)22-14-10-20(11-15-22)29-27(33)24-16-26(19-8-12-21(36-3)13-9-19)30-25-7-5-4-6-23(24)25/h4-16,32H,1-3H3,(H,29,33)
PDB

NCI pathway
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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair