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BDBM133275 US8846730, 22

SMILES: CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCCO2)C(F)(F)F)s1

InChI Key: InChIKey=SVPPSXSGUGIDAA-QARAYMMPSA-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 = 133275   
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))
BDBM133275
PNG
(US8846730, 22)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCCO2)C(F)(F)F)s1
Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.5 -12.9n/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))
BDBM133275
PNG
(US8846730, 22)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCCO2)C(F)(F)F)s1
Show InChI InChI=1S/C25H31F3N2O4S/c1-24(2,3)21-14-30(13-17-6-4-10-32-17)23(35-21)29-22(31)19-12-16(25(26,27)28)8-9-20(19)34-15-18-7-5-11-33-18/h8-9,12,14,17-18H,4-7,10-11,13,15H2,1-3H3/b29-23-/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
3 -11.8n/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