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Patent code US9586925

Compile Data Set for Download or QSAR
Found 22 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


(Homo sapiens (human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM294221
PNG
(()-3-(1-(dimethylamino)ethyl)-1-methoxy-6H-benzo[...)
Show SMILES COc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C18H19NO3/c1-11(19(2)3)12-9-15(21-4)17-13-7-5-6-8-14(13)18(20)22-16(17)10-12/h5-11H,1-4H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294223
PNG
(()-3-(1-(dimethylamino)ethyl)-1-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO3/c1-10(18(2)3)11-8-14(19)16-12-6-4-5-7-13(12)17(20)21-15(16)9-11/h4-10,19H,1-3H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM294220
PNG
((S)-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES C[C@H](N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12/h4-11H,1-3H3/t11-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294226
PNG
(()-1-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C21H24N2O4/c1-6-23(5)21(25)26-14-11-17(13(2)22(3)4)19-15-9-7-8-10-16(15)20(24)27-18(19)12-14/h7-13H,6H2,1-5H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM294219
PNG
(()-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12/h4-11H,1-3H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294225
PNG
(()-3-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C21H24N2O4/c1-6-23(5)21(25)27-18-12-14(13(2)22(3)4)11-17-19(18)15-9-7-8-10-16(15)20(24)26-17/h7-13H,6H2,1-5H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM294222
PNG
(()-1-(1-(dimethylamino)ethyl)-3-methoxy-6H-benzo[...)
Show SMILES COc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C18H19NO3/c1-11(19(2)3)15-9-12(21-4)10-16-17(15)13-7-5-6-8-14(13)18(20)22-16/h5-11H,1-4H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294220
PNG
((S)-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES C[C@H](N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12/h4-11H,1-3H3/t11-/m0/s1
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n/an/a 1.62E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294219
PNG
(()-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12/h4-11H,1-3H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM294223
PNG
(()-3-(1-(dimethylamino)ethyl)-1-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO3/c1-10(18(2)3)11-8-14(19)16-12-6-4-5-7-13(12)17(20)21-15(16)9-11/h4-10,19H,1-3H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294221
PNG
(()-3-(1-(dimethylamino)ethyl)-1-methoxy-6H-benzo[...)
Show SMILES COc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C18H19NO3/c1-11(19(2)3)12-9-15(21-4)17-13-7-5-6-8-14(13)18(20)22-16(17)10-12/h5-11H,1-4H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294222
PNG
(()-1-(1-(dimethylamino)ethyl)-3-methoxy-6H-benzo[...)
Show SMILES COc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C18H19NO3/c1-11(19(2)3)15-9-12(21-4)10-16-17(15)13-7-5-6-8-14(13)18(20)22-16/h5-11H,1-4H3
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n/an/a 2.47E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM294224
PNG
(()-1-(1-(dimethylamino)ethyl)-3-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)cc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C17H17NO3/c1-10(18(2)3)14-8-11(19)9-15-16(14)12-6-4-5-7-13(12)17(20)21-15/h4-10,19H,1-3H3
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n/an/a 3.31E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.52E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294224
PNG
(()-1-(1-(dimethylamino)ethyl)-3-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)cc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C17H17NO3/c1-10(18(2)3)14-8-11(19)9-15-16(14)12-6-4-5-7-13(12)17(20)21-15/h4-10,19H,1-3H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM294225
PNG
(()-3-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C21H24N2O4/c1-6-23(5)21(25)27-18-12-14(13(2)22(3)4)11-17-19(18)15-9-7-8-10-16(15)20(24)26-17/h7-13H,6H2,1-5H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM294226
PNG
(()-1-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C21H24N2O4/c1-6-23(5)21(25)26-14-11-17(13(2)22(3)4)19-15-9-7-8-10-16(15)20(24)27-18(19)12-14/h7-13H,6H2,1-5H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%