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BDBM163068 US9062004, 35::US9670216, 35 2-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one

SMILES: CCCn1cc2c(cnn(C3CC(C)(C)CC(C)(C)C3)c2=O)n1

InChI Key: InChIKey=AVRJCVJBBAXEGT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 163068   
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 1


(Homo sapiens (human))
BDBM163068
PNG
(US9062004, 35 | US9670216, 35 2-Propyl-5-(3,3,5,5-...)
Show SMILES CCCn1cc2c(cnn(C3CC(C)(C)CC(C)(C)C3)c2=O)n1
Show InChI InChI=1S/C18H28N4O/c1-6-7-21-11-14-15(20-21)10-19-22(16(14)23)13-8-17(2,3)12-18(4,5)9-13/h10-11,13H,6-9,12H2,1-5H3
PDB

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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 2


(Homo sapiens (human))
BDBM163068
PNG
(US9062004, 35 | US9670216, 35 2-Propyl-5-(3,3,5,5-...)
Show SMILES CCCn1cc2c(cnn(C3CC(C)(C)CC(C)(C)C3)c2=O)n1
Show InChI InChI=1S/C18H28N4O/c1-6-7-21-11-14-15(20-21)10-19-22(16(14)23)13-8-17(2,3)12-18(4,5)9-13/h10-11,13H,6-9,12H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 240n/an/an/an/an/a25



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 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM163068
PNG
(US9062004, 35 | US9670216, 35 2-Propyl-5-(3,3,5,5-...)
Show SMILES CCCn1cc2c(cnn(C3CC(C)(C)CC(C)(C)C3)c2=O)n1
Show InChI InChI=1S/C18H28N4O/c1-6-7-21-11-14-15(20-21)10-19-22(16(14)23)13-8-17(2,3)12-18(4,5)9-13/h10-11,13H,6-9,12H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



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 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM163068
PNG
(US9062004, 35 | US9670216, 35 2-Propyl-5-(3,3,5,5-...)
Show SMILES CCCn1cc2c(cnn(C3CC(C)(C)CC(C)(C)C3)c2=O)n1
Show InChI InChI=1S/C18H28N4O/c1-6-7-21-11-14-15(20-21)10-19-22(16(14)23)13-8-17(2,3)12-18(4,5)9-13/h10-11,13H,6-9,12H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 240n/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