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BDBM163065 US9062004, 31::US9670216, 32 4-Chloro-5-(2-diethylaminoethylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one

SMILES: CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl

InChI Key: InChIKey=VTKUBMALEHEFPX-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 163065   
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))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

NCI pathway
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.63E+3n/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))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20n/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))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.29E+3n/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))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20n/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))
BDBM163065
PNG
(US9062004, 31 | US9670216, 32 4-Chloro-5-(2-diethy...)
Show SMILES CN(C)CCN(C)c1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
Show InChI InChI=1S/C19H33ClN4O/c1-18(2)10-14(11-19(3,4)13-18)24-17(25)16(20)15(12-21-24)23(7)9-8-22(5)6/h12,14H,8-11,13H2,1-7H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.63E+3n/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