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BDBM163059 US9062004, 25

SMILES: CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl

InChI Key: InChIKey=XGTFHIJGWDETSN-UHFFFAOYSA-N

Data: 2 IC50

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 = 163059   
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


(Homo sapiens (Human))
BDBM163059
PNG
(US9062004, 25)
Show SMILES CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl
Show InChI InChI=1S/C13H12Cl3N3O/c1-2-3-17-11-7-18-19(13(20)12(11)16)10-5-8(14)4-9(15)6-10/h4-7,17H,2-3H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM163059
PNG
(US9062004, 25)
Show SMILES CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl
Show InChI InChI=1S/C13H12Cl3N3O/c1-2-3-17-11-7-18-19(13(20)12(11)16)10-5-8(14)4-9(15)6-10/h4-7,17H,2-3H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair