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BDBM133306 US8846730, 71

SMILES: CC(C)(C)C(\COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=N/O

InChI Key: InChIKey=VDNKEHOVBKLDIB-ZUAQWUQRSA-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 = 133306   
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))
BDBM133306
PNG
(US8846730, 71)
Show SMILES CC(C)(C)C(\COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=N/O
Show InChI InChI=1S/C26H34F3N3O4S/c1-24(2,3)20(31-34)15-36-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-32(13-17-8-7-11-35-17)14-21(37-23)25(4,5)6/h9-10,12,14,17,34H,7-8,11,13,15H2,1-6H3/b30-23-,31-20-/t17-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.10 -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))
BDBM133306
PNG
(US8846730, 71)
Show SMILES CC(C)(C)C(\COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)=N/O
Show InChI InChI=1S/C26H34F3N3O4S/c1-24(2,3)20(31-34)15-36-19-10-9-16(26(27,28)29)12-18(19)22(33)30-23-32(13-17-8-7-11-35-17)14-21(37-23)25(4,5)6/h9-10,12,14,17,34H,7-8,11,13,15H2,1-6H3/b30-23-,31-20-/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5.40 -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