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BDBM9655 US8846730, 34

SMILES: CN1CCN(C)[C@@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)C1

InChI Key: InChIKey=CJQVHJZPYRBXFN-YBRZPMKISA-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 = 9655   
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))
BDBM9655
PNG
(US8846730, 34)
Show SMILES CN1CCN(C)[C@@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)C1
Show InChI InChI=1S/C27H37F3N4O3S/c1-26(2,3)23-16-34(15-20-7-6-12-36-20)25(38-23)31-24(35)21-13-18(27(28,29)30)8-9-22(21)37-17-19-14-32(4)10-11-33(19)5/h8-9,13,16,19-20H,6-7,10-12,14-15,17H2,1-5H3/b31-25-/t19-,20-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
13 -10.9n/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))
BDBM9655
PNG
(US8846730, 34)
Show SMILES CN1CCN(C)[C@@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)C1
Show InChI InChI=1S/C27H37F3N4O3S/c1-26(2,3)23-16-34(15-20-7-6-12-36-20)25(38-23)31-24(35)21-13-18(27(28,29)30)8-9-22(21)37-17-19-14-32(4)10-11-33(19)5/h8-9,13,16,19-20H,6-7,10-12,14-15,17H2,1-5H3/b31-25-/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
25 -10.5n/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