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USPatent US9284330

Compile data set for download or QSAR
Found 29 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))		BDBM214679
PNG
(US9284330, S29)
Show SMILES COC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C23H26N4O4/c1-12-17(22(28)31-4)18(13-6-5-7-14(10-13)27(29)30)19-20(24)15-11-23(2,3)9-8-16(15)26-21(19)25-12/h5-7,10,18H,8-9,11H2,1-4H3,(H3,24,25,26)
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n/an/a 45n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214678
PNG
(US9284330, S28)
Show SMILES CN(C)CCOC(=O)C1=C(C)Nc2nc3CCC(F)(F)Cc3c(N)c2C1c1ccccc1 |c:8|
Show InChI InChI=1S/C24H28F2N4O2/c1-14-18(23(31)32-12-11-30(2)3)19(15-7-5-4-6-8-15)20-21(27)16-13-24(25,26)10-9-17(16)29-22(20)28-14/h4-8,19H,9-13H2,1-3H3,(H3,27,28,29)
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n/an/a 136n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214677
PNG
(US9284330, S27)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(C)Cc3c(N)c2C1c1ccccc1OC |c:5|
Show InChI InChI=1S/C24H29N3O3/c1-5-30-24(28)19-14(3)26-23-21(20(19)15-8-6-7-9-18(15)29-4)22(25)16-12-13(2)10-11-17(16)27-23/h6-9,13,20H,5,10-12H2,1-4H3,(H3,25,26,27)
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n/an/a 178n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214669
PNG
(US9284330, S19)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(Cl)(Cl)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:5|
Show InChI InChI=1S/C22H22Cl2N4O4/c1-3-32-21(29)16-11(2)26-20-18(17(16)12-5-4-6-13(9-12)28(30)31)19(25)14-10-22(23,24)8-7-15(14)27-20/h4-6,9,17H,3,7-8,10H2,1-2H3,(H3,25,26,27)
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n/an/a 333n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214672
PNG
(US9284330, S22)
Show SMILES COC(=O)C1=C(C)Nc2nc3CCSCc3c(N)c2C1c1ccccc1 |c:4|
Show InChI InChI=1S/C20H21N3O2S/c1-11-15(20(24)25-2)16(12-6-4-3-5-7-12)17-18(21)13-10-26-9-8-14(13)23-19(17)22-11/h3-7,16H,8-10H2,1-2H3,(H3,21,22,23)
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n/an/a 450n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214668
PNG
(US9284330, S18)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(F)(F)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:5|
Show InChI InChI=1S/C22H22F2N4O4/c1-3-32-21(29)16-11(2)26-20-18(17(16)12-5-4-6-13(9-12)28(30)31)19(25)14-10-22(23,24)8-7-15(14)27-20/h4-6,9,17H,3,7-8,10H2,1-2H3,(H3,25,26,27)
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n/an/a 504n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214673
PNG
(US9284330, S23)
Show SMILES CCOC(=O)C1=C(Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O)C(F)(F)F |t:5|
Show InChI InChI=1S/C24H25F3N4O4/c1-4-35-22(32)18-16(12-6-5-7-13(10-12)31(33)34)17-19(28)14-11-23(2,3)9-8-15(14)29-21(17)30-20(18)24(25,26)27/h5-7,10,16H,4,8-9,11H2,1-3H3,(H3,28,29,30)
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n/an/a 540n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214652
PNG
(US9284330, S2)
Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(F)c1 |c:6|
Show InChI InChI=1S/C25H30FN3O2/c1-13(2)31-24(30)19-14(3)28-23-21(20(19)15-7-6-8-16(26)11-15)22(27)17-12-25(4,5)10-9-18(17)29-23/h6-8,11,13,20H,9-10,12H2,1-5H3,(H3,27,28,29)
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n/an/a 558n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214665
PNG
(US9284330, S15)
Show SMILES COC(=O)C1=C(C)Nc2nc3CSCc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C19H18N4O4S/c1-9-14(19(24)27-2)15(10-4-3-5-11(6-10)23(25)26)16-17(20)12-7-28-8-13(12)22-18(16)21-9/h3-6,15H,7-8H2,1-2H3,(H3,20,21,22)
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n/an/a 729n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214670
PNG
(US9284330, S20)
Show SMILES COC(=O)C1=C(C)Nc2nc3C(Cl)CCCc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C21H21ClN4O4/c1-10-15(21(27)30-2)16(11-5-3-6-12(9-11)26(28)29)17-18(23)13-7-4-8-14(22)19(13)25-20(17)24-10/h3,5-6,9,14,16H,4,7-8H2,1-2H3,(H3,23,24,25)
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n/an/a 732n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214658
PNG
(US9284330, S8)
Show SMILES CC1=C(C(c2ccccc2F)c2c(N)c3CC(C)(C)CCc3nc2N1)C(=O)OC1CCC1 |t:1|
Show InChI InChI=1S/C26H30FN3O2/c1-14-20(25(31)32-15-7-6-8-15)21(16-9-4-5-10-18(16)27)22-23(28)17-13-26(2,3)12-11-19(17)30-24(22)29-14/h4-5,9-10,15,21H,6-8,11-13H2,1-3H3,(H3,28,29,30)
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n/an/a 757n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214651
PNG
(US9284330, S1)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(C)Cc3c(N)c2C1c1ccc(cc1)C(F)(F)F |c:5|
Show InChI InChI=1S/C24H26F3N3O2/c1-4-32-23(31)18-13(3)29-22-20(21(28)16-11-12(2)5-10-17(16)30-22)19(18)14-6-8-15(9-7-14)24(25,26)27/h6-9,12,19H,4-5,10-11H2,1-3H3,(H3,28,29,30)
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n/an/a 768n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214655
PNG
(US9284330, S5)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C24H28ClN3O2/c1-5-30-23(29)18-13(2)27-22-20(19(18)14-7-6-8-15(25)11-14)21(26)16-12-24(3,4)10-9-17(16)28-22/h6-8,11,19H,5,9-10,12H2,1-4H3,(H3,26,27,28)
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n/an/a 770n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214675
PNG
(US9284330, S25)
Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cncnc1 |c:6|
Show InChI InChI=1S/C23H29N5O2/c1-12(2)30-22(29)17-13(3)27-21-19(18(17)14-9-25-11-26-10-14)20(24)15-8-23(4,5)7-6-16(15)28-21/h9-12,18H,6-8H2,1-5H3,(H3,24,27,28)
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n/an/a 842n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214656
PNG
(US9284330, S6)
Show SMILES COC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1ccccc1 |c:4|
Show InChI InChI=1S/C23H27N3O2/c1-13-17(22(27)28-4)18(14-8-6-5-7-9-14)19-20(24)15-12-23(2,3)11-10-16(15)26-21(19)25-13/h5-9,18H,10-12H2,1-4H3,(H3,24,25,26)
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n/an/a 893n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214659
PNG
(US9284330, S9)
Show SMILES COCCOC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1ccccc1Cl |c:7|
Show InChI InChI=1S/C25H30ClN3O3/c1-14-19(24(30)32-12-11-31-4)20(15-7-5-6-8-17(15)26)21-22(27)16-13-25(2,3)10-9-18(16)29-23(21)28-14/h5-8,20H,9-13H2,1-4H3,(H3,27,28,29)
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n/an/a 919n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214660
PNG
(US9284330, S10)
Show SMILES CC1=C(C(c2ccccc2Cl)c2c(N)c3CC(C)(C)CCc3nc2N1)C(=O)OCC1CC1 |t:1|
Show InChI InChI=1S/C26H30ClN3O2/c1-14-20(25(31)32-13-15-8-9-15)21(16-6-4-5-7-18(16)27)22-23(28)17-12-26(2,3)11-10-19(17)30-24(22)29-14/h4-7,15,21H,8-13H2,1-3H3,(H3,28,29,30)
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n/an/a 971n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214654
PNG
(US9284330, S4)
Show SMILES CC1=C(C(c2cccc(c2)[N+]([O-])=O)c2c(N)c3CC(C)(C)CCc3nc2N1)C(=O)OCC=C |t:1|
Show InChI InChI=1S/C25H28N4O4/c1-5-11-33-24(30)19-14(2)27-23-21(20(19)15-7-6-8-16(12-15)29(31)32)22(26)17-13-25(3,4)10-9-18(17)28-23/h5-8,12,20H,1,9-11,13H2,2-4H3,(H3,26,27,28)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214671
PNG
(US9284330, S21)
Show SMILES COC(=O)C1=C(C)Nc2nc3CC(C)CCc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C22H24N4O4/c1-11-7-8-15-16(9-11)25-21-19(20(15)23)18(17(12(2)24-21)22(27)30-3)13-5-4-6-14(10-13)26(28)29/h4-6,10-11,18H,7-9H2,1-3H3,(H3,23,24,25)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214653
PNG
(US9284330, S3)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(c1)C(F)(F)F |c:5|
Show InChI InChI=1S/C25H28F3N3O2/c1-5-33-23(32)18-13(2)30-22-20(19(18)14-7-6-8-15(11-14)25(26,27)28)21(29)16-12-24(3,4)10-9-17(16)31-22/h6-8,11,19H,5,9-10,12H2,1-4H3,(H3,29,30,31)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214657
PNG
(US9284330, S7)
Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1ccccc1F |c:6|
Show InChI InChI=1S/C25H30FN3O2/c1-13(2)31-24(30)19-14(3)28-23-21(20(19)15-8-6-7-9-17(15)26)22(27)16-12-25(4,5)11-10-18(16)29-23/h6-9,13,20H,10-12H2,1-5H3,(H3,27,28,29)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214684
PNG
(US9284330, S34)
Show SMILES CC1=C(C(c2cccc(F)c2)c2c(N)c3CC(C)(C)CCc3nc2N1)C(=O)OCC=C |t:1|
Show InChI InChI=1S/C25H28FN3O2/c1-5-11-31-24(30)19-14(2)28-23-21(20(19)15-7-6-8-16(26)12-15)22(27)17-13-25(3,4)10-9-18(17)29-23/h5-8,12,20H,1,9-11,13H2,2-4H3,(H3,27,28,29)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214685
PNG
(US9284330, S35)
Show SMILES CC1=C(C(c2cccc(F)c2)c2c(N)c3CC(C)(C)CCc3nc2N1)C(=O)OCC#C |t:1|
Show InChI InChI=1S/C25H26FN3O2/c1-5-11-31-24(30)19-14(2)28-23-21(20(19)15-7-6-8-16(26)12-15)22(27)17-13-25(3,4)10-9-18(17)29-23/h1,6-8,12,20H,9-11,13H2,2-4H3,(H3,27,28,29)
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n/an/a 1.79E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214683
PNG
(US9284330, S33)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(F)c1 |c:5|
Show InChI InChI=1S/C24H28FN3O2/c1-5-30-23(29)18-13(2)27-22-20(19(18)14-7-6-8-15(25)11-14)21(26)16-12-24(3,4)10-9-17(16)28-22/h6-8,11,19H,5,9-10,12H2,1-4H3,(H3,26,27,28)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214687
PNG
(US9284330, S37)
Show SMILES CCOC(=O)C1=C(C)N(C)c2nc3CCC(C)(C)Cc3c(N)c2C1c1ccccc1Cl |c:5|
Show InChI InChI=1S/C25H30ClN3O2/c1-6-31-24(30)19-14(2)29(5)23-21(20(19)15-9-7-8-10-17(15)26)22(27)16-13-25(3,4)12-11-18(16)28-23/h7-10,20H,6,11-13H2,1-5H3,(H2,27,28)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214686
PNG
(US9284330, S36)
Show SMILES CC1=C(C(c2cccc(c2)[N+]([O-])=O)c2c(N)c3CC(C)(C)CCc3nc2N1)C(=O)OCC#C |t:1|
Show InChI InChI=1S/C25H26N4O4/c1-5-11-33-24(30)19-14(2)27-23-21(20(19)15-7-6-8-16(12-15)29(31)32)22(26)17-13-25(3,4)10-9-18(17)28-23/h1,6-8,12,20H,9-11,13H2,2-4H3,(H3,26,27,28)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214681
PNG
(US9284330, S31)
Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1ccccc1Cl |c:6|
Show InChI InChI=1S/C25H30ClN3O2/c1-13(2)31-24(30)19-14(3)28-23-21(20(19)15-8-6-7-9-17(15)26)22(27)16-12-25(4,5)11-10-18(16)29-23/h6-9,13,20H,10-12H2,1-5H3,(H3,27,28,29)
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n/an/a 3.03E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214680
PNG
(US9284330, S30)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:5|
Show InChI InChI=1S/C24H28N4O4/c1-5-32-23(29)18-13(2)26-22-20(19(18)14-7-6-8-15(11-14)28(30)31)21(25)16-12-24(3,4)10-9-17(16)27-22/h6-8,11,19H,5,9-10,12H2,1-4H3,(H3,25,26,27)
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n/an/a 5.96E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM214682
PNG
(US9284330, S32)
Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(Cl)c1 |c:6|
Show InChI InChI=1S/C25H30ClN3O2/c1-13(2)31-24(30)19-14(3)28-23-21(20(19)15-7-6-8-16(26)11-15)22(27)17-12-25(4,5)10-9-18(17)29-23/h6-8,11,13,20H,9-10,12H2,1-5H3,(H3,27,28,29)
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n/an/a 6.92E+3n/an/an/an/an/an/a



Jiangsu Simovay Pharmaceutical Co., Ltd.

US Patent


Assay Description
Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1...

US Patent US9284330 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NGP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%