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BDBM133283 US8846730, 36

SMILES: CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2ccccc2)C(F)(F)F)s1

InChI Key: InChIKey=RHXIAYLZMOIJHW-VPEWXMBWSA-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 = 133283   
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))
BDBM133283
PNG
(US8846730, 36)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2ccccc2)C(F)(F)F)s1
Show InChI InChI=1S/C27H29F3N2O3S/c1-26(2,3)23-16-32(15-20-10-7-13-34-20)25(36-23)31-24(33)21-14-19(27(28,29)30)11-12-22(21)35-17-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16,20H,7,10,13,15,17H2,1-3H3/b31-25-/t20-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.90 -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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM133283
PNG
(US8846730, 36)
Show SMILES CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2ccccc2)C(F)(F)F)s1
Show InChI InChI=1S/C27H29F3N2O3S/c1-26(2,3)23-16-32(15-20-10-7-13-34-20)25(36-23)31-24(33)21-14-19(27(28,29)30)11-12-22(21)35-17-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16,20H,7,10,13,15,17H2,1-3H3/b31-25-/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
6 -11.4n/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