BindingDB logo
myBDB logout

BDBM133273 US8846730, 19

SMILES: CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cnccn2)C(F)(F)F)s1

InChI Key: InChIKey=LBIFNICVQCZDJG-RTOQZTFESA-N

Data: 2 KI

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 = 133273   
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 2


(Rattus norvegicus (Rat))
BDBM133273
PNG
(US8846730, 19)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cnccn2)C(F)(F)F)s1
Show InChI InChI=1S/C25H27F3N4O3S/c1-24(2,3)21-14-32(13-18-5-4-10-34-18)23(36-21)31-22(33)19-11-16(25(26,27)28)6-7-20(19)35-15-17-12-29-8-9-30-17/h6-9,11-12,14,18H,4-5,10,13,15H2,1-3H3/b31-23-/t18-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5 -11.5n/an/an/an/an/a7.430



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)


BindingDB Entry DOI: 10.7270/Q2028Q6Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM133273
PNG
(US8846730, 19)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cnccn2)C(F)(F)F)s1
Show InChI InChI=1S/C25H27F3N4O3S/c1-24(2,3)21-14-32(13-18-5-4-10-34-18)23(36-21)31-22(33)19-11-16(25(26,27)28)6-7-20(19)35-15-17-12-29-8-9-30-17/h6-9,11-12,14,18H,4-5,10,13,15H2,1-3H3/b31-23-/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5 -11.5n/an/an/an/an/a7.430



AbbVie Inc.

US Patent


Assay Description
HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...


US Patent US8846730 (2014)


BindingDB Entry DOI: 10.7270/Q2028Q6Q
More data for this
Ligand-Target Pair