BindingDB logo
myBDB logout

USPatent US9000008

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM153682
PNG
(US9000008, 4)
Show SMILES O=C(CC1CN2CCC1CC2)Nc1ccc2ccccc2c1 |(-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-6.1,.21,;-4.56,-.21,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,)|
Show InChI InChI=1S/C19H22N2O/c22-19(12-17-13-21-9-7-15(17)8-10-21)20-18-6-5-14-3-1-2-4-16(14)11-18/h1-6,11,15,17H,7-10,12-13H2,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 42 -39.1n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...

US Patent US9000008 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PZX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM153679
PNG
(US9000008, 1)
Show SMILES Brc1cccc2cc(NC(=O)CC3CN4CCC3CC4)sc12 |(3.29,-3.41,;4.06,-2.08,;5.6,-2.08,;6.37,-.75,;5.6,.59,;4.06,.59,;3.03,1.73,;1.63,1.1,;.29,1.87,;-1.04,1.1,;-1.04,-.44,;-2.37,1.87,;-3.71,1.1,;-3.71,-.44,;-5.04,-1.21,;-6.37,-.44,;-6.37,1.1,;-5.04,1.87,;-4.27,.54,;-5.81,.13,;1.79,-.43,;3.29,-.75,)|
Show InChI InChI=1S/C17H19BrN2OS/c18-14-3-1-2-12-9-16(22-17(12)14)19-15(21)8-13-10-20-6-4-11(13)5-7-20/h1-3,9,11,13H,4-8,10H2,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 120 -36.7n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...

US Patent US9000008 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PZX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM153683
PNG
(US9000008, 5)
Show SMILES [O-][N+](=O)c1cccc2ccc(NC(=O)CC3CN4CCC3CC4)cc12 |(6.67,2.69,;5.33,1.92,;4,2.69,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-1.33,-1.93,;-2.67,.38,;-4,-.39,;-4,-1.93,;-5.33,-2.7,;-6.67,-1.93,;-6.67,-.39,;-5.33,.38,;-6.1,-.95,;-4.56,-1.36,;2.67,.39,;4,-.39,)|
Show InChI InChI=1S/C19H21N3O3/c23-19(10-15-12-21-8-6-13(15)7-9-21)20-16-5-4-14-2-1-3-18(22(24)25)17(14)11-16/h1-5,11,13,15H,6-10,12H2,(H,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 170 -35.9n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...

US Patent US9000008 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PZX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM153680
PNG
(US9000008, 2)
Show SMILES Brc1ccc2cc(NC(=O)CC3CN4CCC3CC4)sc2c1 |(6.37,-2.64,;5.6,-1.31,;6.37,.02,;5.6,1.36,;4.06,1.36,;3.03,2.5,;1.63,1.87,;.29,2.64,;-1.04,1.87,;-1.04,.33,;-2.37,2.64,;-3.71,1.87,;-3.71,.33,;-5.04,-.44,;-6.37,.33,;-6.37,1.87,;-5.04,2.64,;-5.88,1.38,;-4.36,.57,;1.79,.34,;3.29,.02,;4.06,-1.31,)|
Show InChI InChI=1S/C17H19BrN2OS/c18-14-2-1-12-8-17(22-15(12)9-14)19-16(21)7-13-10-20-5-3-11(13)4-6-20/h1-2,8-9,11,13H,3-7,10H2,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 200 -35.5n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...

US Patent US9000008 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PZX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM153681
PNG
(US9000008, 3)
Show SMILES O=C(CC1CN2CCC1CC2)Nc1ccc2cccnc2c1 |(-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-6.1,.21,;-4.56,-.21,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,)|
Show InChI InChI=1S/C18H21N3O/c22-18(10-15-12-21-8-5-13(15)6-9-21)20-16-4-3-14-2-1-7-19-17(14)11-16/h1-4,7,11,13,15H,5-6,8-10,12H2,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 280 -34.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...

US Patent US9000008 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PZX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%