BindingDB logo
myBDB logout

BDBM260088 US9522886, 36

SMILES: CC(C)CS(=O)(=O)c1nc(ccc1C1CC1)C(=O)NC1(CC(N)=O)COC1

InChI Key: InChIKey=VNOGZGIBPZGNHM-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 260088   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM260088
PNG
(US9522886, 36)
Show SMILES CC(C)CS(=O)(=O)c1nc(ccc1C1CC1)C(=O)NC1(CC(N)=O)COC1
Show InChI InChI=1S/C18H25N3O5S/c1-11(2)8-27(24,25)17-13(12-3-4-12)5-6-14(20-17)16(23)21-18(7-15(19)22)9-26-10-18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,19,22)(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM260088
PNG
(US9522886, 36)
Show SMILES CC(C)CS(=O)(=O)c1nc(ccc1C1CC1)C(=O)NC1(CC(N)=O)COC1
Show InChI InChI=1S/C18H25N3O5S/c1-11(2)8-27(24,25)17-13(12-3-4-12)5-6-14(20-17)16(23)21-18(7-15(19)22)9-26-10-18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,19,22)(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 255n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9522886 (2016)


BindingDB Entry DOI: 10.7270/Q28W3C7W
More data for this
Ligand-Target Pair