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Patent code US9255091

Compile Data Set for Download or QSAR
Found 15 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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM205985
PNG
(US9255091, 4e)
Show SMILES [O-][N+](=O)c1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1
Show InChI InChI=1S/C21H18FN4O2S/c22-17-3-1-16(2-4-17)14-25-11-8-15(9-12-25)7-10-23-21-24-19-6-5-18(26(27)28)13-20(19)29-21/h1-6,8-9,11-13H,7,10,14H2,(H,23,24)/q+1
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM205985
PNG
(US9255091, 4e)
Show SMILES [O-][N+](=O)c1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1
Show InChI InChI=1S/C21H18FN4O2S/c22-17-3-1-16(2-4-17)14-25-11-8-15(9-12-25)7-10-23-21-24-19-6-5-18(26(27)28)13-20(19)29-21/h1-6,8-9,11-13H,7,10,14H2,(H,23,24)/q+1
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US Patent
n/an/a 96n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM205981
PNG
(US9255091, 4a)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4ccccc4)cc3)sc2c1
Show InChI InChI=1S/C22H22N3OS/c1-26-19-7-8-20-21(15-19)27-22(24-20)23-12-9-17-10-13-25(14-11-17)16-18-5-3-2-4-6-18/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,23,24)/q+1
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n/an/a 186n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM205983
PNG
(US9255091, 4c)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4c(F)cccc4F)cc3)sc2c1
Show InChI InChI=1S/C22H20F2N3OS/c1-28-16-5-6-20-21(13-16)29-22(26-20)25-10-7-15-8-11-27(12-9-15)14-17-18(23)3-2-4-19(17)24/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,25,26)/q+1
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n/an/a 203n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM205982
PNG
(US9255091, 4b)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1
Show InChI InChI=1S/C22H21FN3OS/c1-27-19-6-7-20-21(14-19)28-22(25-20)24-11-8-16-9-12-26(13-10-16)15-17-2-4-18(23)5-3-17/h2-7,9-10,12-14H,8,11,15H2,1H3,(H,24,25)/q+1
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n/an/a 223n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM205984
PNG
(US9255091, 4d)
Show SMILES Fc1ccc(C[n+]2ccc(CCNc3nc4ccc(F)cc4s3)cc2)cc1
Show InChI InChI=1S/C21H18F2N3S/c22-17-3-1-16(2-4-17)14-26-11-8-15(9-12-26)7-10-24-21-25-19-6-5-18(23)13-20(19)27-21/h1-6,8-9,11-13H,7,10,14H2,(H,24,25)/q+1
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n/an/a 269n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM205983
PNG
(US9255091, 4c)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4c(F)cccc4F)cc3)sc2c1
Show InChI InChI=1S/C22H20F2N3OS/c1-28-16-5-6-20-21(13-16)29-22(26-20)25-10-7-15-8-11-27(12-9-15)14-17-18(23)3-2-4-19(17)24/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,25,26)/q+1
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 408n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM205981
PNG
(US9255091, 4a)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4ccccc4)cc3)sc2c1
Show InChI InChI=1S/C22H22N3OS/c1-26-19-7-8-20-21(15-19)27-22(24-20)23-12-9-17-10-13-25(14-11-17)16-18-5-3-2-4-6-18/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,23,24)/q+1
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 441n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM205984
PNG
(US9255091, 4d)
Show SMILES Fc1ccc(C[n+]2ccc(CCNc3nc4ccc(F)cc4s3)cc2)cc1
Show InChI InChI=1S/C21H18F2N3S/c22-17-3-1-16(2-4-17)14-26-11-8-15(9-12-26)7-10-24-21-25-19-6-5-18(23)13-20(19)27-21/h1-6,8-9,11-13H,7,10,14H2,(H,24,25)/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM205982
PNG
(US9255091, 4b)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1
Show InChI InChI=1S/C22H21FN3OS/c1-27-19-6-7-20-21(14-19)28-22(25-20)24-11-8-16-9-12-26(13-10-16)15-17-2-4-18(23)5-3-17/h2-7,9-10,12-14H,8,11,15H2,1H3,(H,24,25)/q+1
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 542n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM205983
PNG
(US9255091, 4c)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4c(F)cccc4F)cc3)sc2c1
Show InChI InChI=1S/C22H20F2N3OS/c1-28-16-5-6-20-21(13-16)29-22(26-20)25-10-7-15-8-11-27(12-9-15)14-17-18(23)3-2-4-19(17)24/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,25,26)/q+1
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n/an/a 826n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM205981
PNG
(US9255091, 4a)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4ccccc4)cc3)sc2c1
Show InChI InChI=1S/C22H22N3OS/c1-26-19-7-8-20-21(15-19)27-22(24-20)23-12-9-17-10-13-25(14-11-17)16-18-5-3-2-4-6-18/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,23,24)/q+1
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US Patent
n/an/a 3.01E+3n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM205982
PNG
(US9255091, 4b)
Show SMILES COc1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1
Show InChI InChI=1S/C22H21FN3OS/c1-27-19-6-7-20-21(14-19)28-22(25-20)24-11-8-16-9-12-26(13-10-16)15-17-2-4-18(23)5-3-17/h2-7,9-10,12-14H,8,11,15H2,1H3,(H,24,25)/q+1
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n/an/a 5.63E+3n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM205984
PNG
(US9255091, 4d)
Show SMILES Fc1ccc(C[n+]2ccc(CCNc3nc4ccc(F)cc4s3)cc2)cc1
Show InChI InChI=1S/C21H18F2N3S/c22-17-3-1-16(2-4-17)14-26-11-8-15(9-12-26)7-10-24-21-25-19-6-5-18(23)13-20(19)27-21/h1-6,8-9,11-13H,7,10,14H2,(H,24,25)/q+1
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n/an/a 8.16E+3n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM205985
PNG
(US9255091, 4e)
Show SMILES [O-][N+](=O)c1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1
Show InChI InChI=1S/C21H18FN4O2S/c22-17-3-1-16(2-4-17)14-25-11-8-15(9-12-25)7-10-23-21-24-19-6-5-18(26(27)28)13-20(19)29-21/h1-6,8-9,11-13H,7,10,14H2,(H,23,24)/q+1
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US Patent
n/an/a 1.19E+4n/an/an/an/an/an/a



The University of Montana

US Patent


Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


US Patent US9255091 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57MB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%