BindingDB logo
myBDB logout

BDBM133312 US8846730, 78

SMILES: CCN(CC)Oc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F

InChI Key: InChIKey=TYHDVIJQDXELDN-LBYPAGOHSA-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 = 133312   
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))
BDBM133312
PNG
(US8846730, 78)
Show SMILES CCN(CC)Oc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O3S/c1-6-30(7-2)33-19-11-10-16(24(25,26)27)13-18(19)21(31)28-22-29(14-17-9-8-12-32-17)15-20(34-22)23(3,4)5/h10-11,13,15,17H,6-9,12,14H2,1-5H3/b28-22-/t17-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.60 -11.6n/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))
BDBM133312
PNG
(US8846730, 78)
Show SMILES CCN(CC)Oc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O3S/c1-6-30(7-2)33-19-11-10-16(24(25,26)27)13-18(19)21(31)28-22-29(14-17-9-8-12-32-17)15-20(34-22)23(3,4)5/h10-11,13,15,17H,6-9,12,14H2,1-5H3/b28-22-/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
22 -10.6n/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