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BDBM163051 US9062004, 15::US9670216, 16 4-Chloro-2-(3,5-dimethylphenyl)-5-propylaminopyridazin-3-one

SMILES: CC1(C)CC(CC(C)(C)C1)n1ncc(NCCN2CCOCC2)c(Br)c1=O

InChI Key: InChIKey=LFSXWIRCSGJIBI-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 163051   
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))
BDBM163051
PNG
(US9062004, 15 | US9670216, 16 4-Chloro-2-(3,5-dime...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc(NCCN2CCOCC2)c(Br)c1=O
Show InChI InChI=1S/C20H33BrN4O2/c1-19(2)11-15(12-20(3,4)14-19)25-18(26)17(21)16(13-23-25)22-5-6-24-7-9-27-10-8-24/h13,15,22H,5-12,14H2,1-4H3
PDB

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PC cid
PC sid
UniChem

Similars

n/an/a 1.86E+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))
BDBM163051
PNG
(US9062004, 15 | US9670216, 16 4-Chloro-2-(3,5-dime...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc(NCCN2CCOCC2)c(Br)c1=O
Show InChI InChI=1S/C20H33BrN4O2/c1-19(2)11-15(12-20(3,4)14-19)25-18(26)17(21)16(13-23-25)22-5-6-24-7-9-27-10-8-24/h13,15,22H,5-12,14H2,1-4H3
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Similars

n/an/a 22.4n/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))
BDBM163051
PNG
(US9062004, 15 | US9670216, 16 4-Chloro-2-(3,5-dime...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc(NCCN2CCOCC2)c(Br)c1=O
Show InChI InChI=1S/C20H33BrN4O2/c1-19(2)11-15(12-20(3,4)14-19)25-18(26)17(21)16(13-23-25)22-5-6-24-7-9-27-10-8-24/h13,15,22H,5-12,14H2,1-4H3
Reactome pathway
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PC cid
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Similars

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))
BDBM163051
PNG
(US9062004, 15 | US9670216, 16 4-Chloro-2-(3,5-dime...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc(NCCN2CCOCC2)c(Br)c1=O
Show InChI InChI=1S/C20H33BrN4O2/c1-19(2)11-15(12-20(3,4)14-19)25-18(26)17(21)16(13-23-25)22-5-6-24-7-9-27-10-8-24/h13,15,22H,5-12,14H2,1-4H3
Reactome pathway
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PC cid
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Similars

n/an/a 22n/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))
BDBM163051
PNG
(US9062004, 15 | US9670216, 16 4-Chloro-2-(3,5-dime...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc(NCCN2CCOCC2)c(Br)c1=O
Show InChI InChI=1S/C20H33BrN4O2/c1-19(2)11-15(12-20(3,4)14-19)25-18(26)17(21)16(13-23-25)22-5-6-24-7-9-27-10-8-24/h13,15,22H,5-12,14H2,1-4H3
PDB

NCI pathway
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PC sid
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Similars

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 1


(Homo sapiens (human))
BDBM163051
PNG
(US9062004, 15 | US9670216, 16 4-Chloro-2-(3,5-dime...)
Show SMILES CC1(C)CC(CC(C)(C)C1)n1ncc(NCCN2CCOCC2)c(Br)c1=O
Show InChI InChI=1S/C20H33BrN4O2/c1-19(2)11-15(12-20(3,4)14-19)25-18(26)17(21)16(13-23-25)22-5-6-24-7-9-27-10-8-24/h13,15,22H,5-12,14H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 1.86E+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