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BDBM163069 US9062004, 36::US9670216, 36 1-(2-Morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one

SMILES: CC1(C)CC(CC(C)(C)C1)n1ncc2n(CCN3CCOCC3)ncc2c1=O

InChI Key: InChIKey=ZDVSUHLCUSNROB-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 = 163069   
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))
BDBM163069
PNG
(US9062004, 36 | US9670216, 36 1-(2-Morpholin-4-yle...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc2n(CCN3CCOCC3)ncc2c1=O
Show InChI InChI=1S/C21H33N5O2/c1-20(2)11-16(12-21(3,4)15-20)26-19(27)17-13-22-25(18(17)14-23-26)6-5-24-7-9-28-10-8-24/h13-14,16H,5-12,15H2,1-4H3
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 219n/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))
BDBM163069
PNG
(US9062004, 36 | US9670216, 36 1-(2-Morpholin-4-yle...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc2n(CCN3CCOCC3)ncc2c1=O
Show InChI InChI=1S/C21H33N5O2/c1-20(2)11-16(12-21(3,4)15-20)26-19(27)17-13-22-25(18(17)14-23-26)6-5-24-7-9-28-10-8-24/h13-14,16H,5-12,15H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.5n/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))
BDBM163069
PNG
(US9062004, 36 | US9670216, 36 1-(2-Morpholin-4-yle...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc2n(CCN3CCOCC3)ncc2c1=O
Show InChI InChI=1S/C21H33N5O2/c1-20(2)11-16(12-21(3,4)15-20)26-19(27)17-13-22-25(18(17)14-23-26)6-5-24-7-9-28-10-8-24/h13-14,16H,5-12,15H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 219n/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))
BDBM163069
PNG
(US9062004, 36 | US9670216, 36 1-(2-Morpholin-4-yle...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc2n(CCN3CCOCC3)ncc2c1=O
Show InChI InChI=1S/C21H33N5O2/c1-20(2)11-16(12-21(3,4)15-20)26-19(27)17-13-22-25(18(17)14-23-26)6-5-24-7-9-28-10-8-24/h13-14,16H,5-12,15H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.5n/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