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Patent code US9475809

Compile Data Set for Download or QSAR
Found 16 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
Coagulation factor XI


(Homo sapiens (human))
BDBM251901
PNG
(US9475809, 13)
Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C25H16ClN5O5/c26-15-4-1-14(11-27)17(9-15)18-10-22(34)31(19-7-8-20(32)23(18)19)12-21(33)28-16-5-2-13(3-6-16)24-29-25(35)36-30-24/h1-6,9-10H,7-8,12H2,(H,28,33)(H,29,30,35)
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n/an/a 34n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251900
PNG
(US9475809, 12)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2c3CCC(=O)c3c(cc2=O)-c2cc(Cl)ccc2C#N)cc1
Show InChI InChI=1S/C24H16ClN3O5/c25-15-4-1-14(11-26)17(9-15)18-10-22(31)28(19-7-8-20(29)23(18)19)12-21(30)27-16-5-2-13(3-6-16)24(32)33/h1-6,9-10H,7-8,12H2,(H,27,30)(H,32,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251904
PNG
(US9475809, 16)
Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)c2CCCC(=O)c12
Show InChI InChI=1S/C26H18ClN5O5/c27-16-7-4-15(12-28)18(10-16)19-11-23(35)32(20-2-1-3-21(33)24(19)20)13-22(34)29-17-8-5-14(6-9-17)25-30-26(36)37-31-25/h4-11H,1-3,13H2,(H,29,34)(H,30,31,36)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251903
PNG
(US9475809, 15)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2c3CCCC(=O)c3c(cc2=O)-c2cc(Cl)ccc2C#N)cc1
Show InChI InChI=1S/C25H18ClN3O5/c26-16-7-4-15(12-27)18(10-16)19-11-23(32)29(20-2-1-3-21(30)24(19)20)13-22(31)28-17-8-5-14(6-9-17)25(33)34/h4-11H,1-3,13H2,(H,28,31)(H,33,34)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251895
PNG
(US9475809, 7)
Show SMILES Clc1ccc(Cl)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2cc(=O)[nH][nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C25H18Cl2N4O4/c26-14-3-6-18(27)16(9-14)17-10-24(35)31(20-7-8-21(32)25(17)20)12-23(34)28-15-4-1-13(2-5-15)19-11-22(33)30-29-19/h1-6,9-11H,7-8,12H2,(H,28,34)(H2,29,30,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251902
PNG
(US9475809, 14)
Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2cc(=O)[nH][nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C26H18ClN5O4/c27-16-4-1-15(12-28)18(9-16)19-10-25(36)32(21-7-8-22(33)26(19)21)13-24(35)29-17-5-2-14(3-6-17)20-11-23(34)31-30-20/h1-6,9-11H,7-8,13H2,(H,29,35)(H2,30,31,34)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251897
PNG
(US9475809, 9)
Show SMILES Clc1ccc(Br)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2nnn[nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C23H16BrClN6O3/c24-17-6-3-13(25)9-15(17)16-10-21(34)31(18-7-8-19(32)22(16)18)11-20(33)26-14-4-1-12(2-5-14)23-27-29-30-28-23/h1-6,9-10H,7-8,11H2,(H,26,33)(H,27,28,29,30)
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Bayer Pharma Aktiengesellschaft

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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251898
PNG
(US9475809, 10)
Show SMILES Clc1ccc(Br)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C24H16BrClN4O5/c25-17-6-3-13(26)9-15(17)16-10-21(33)30(18-7-8-19(31)22(16)18)11-20(32)27-14-4-1-12(2-5-14)23-28-24(34)35-29-23/h1-6,9-10H,7-8,11H2,(H,27,32)(H,28,29,34)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251891
PNG
(US9475809, 3)
Show SMILES Clc1ccc(Cl)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2nnn[nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C23H16Cl2N6O3/c24-13-3-6-17(25)15(9-13)16-10-21(34)31(18-7-8-19(32)22(16)18)11-20(33)26-14-4-1-12(2-5-14)23-27-29-30-28-23/h1-6,9-10H,7-8,11H2,(H,26,33)(H,27,28,29,30)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251893
PNG
(US9475809, 5)
Show SMILES Clc1ccc(Cl)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C24H16Cl2N4O5/c25-13-3-6-17(26)15(9-13)16-10-21(33)30(18-7-8-19(31)22(16)18)11-20(32)27-14-4-1-12(2-5-14)23-28-24(34)35-29-23/h1-6,9-10H,7-8,11H2,(H,27,32)(H,28,29,34)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251890
PNG
(US9475809, 2)
Show SMILES CN1Cc2c(C1=O)c(cc(=O)n2CC(=O)Nc1ccc(cc1)-c1nnn[nH]1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H17Cl2N7O3/c1-31-10-18-21(23(31)35)16(15-8-13(24)4-7-17(15)25)9-20(34)32(18)11-19(33)26-14-5-2-12(3-6-14)22-27-29-30-28-22/h2-9H,10-11H2,1H3,(H,26,33)(H,27,28,29,30)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251892
PNG
(US9475809, 4)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2c3CCC(=O)c3c(cc2=O)-c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O5/c24-13-3-6-17(25)15(9-13)16-10-21(30)27(18-7-8-19(28)22(16)18)11-20(29)26-14-4-1-12(2-5-14)23(31)32/h1-6,9-10H,7-8,11H2,(H,26,29)(H,31,32)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251896
PNG
(US9475809, 8)
Show SMILES Clc1ccc(Cl)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2cnc[nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C25H18Cl2N4O3/c26-15-3-6-19(27)17(9-15)18-10-24(34)31(21-7-8-22(32)25(18)21)12-23(33)30-16-4-1-14(2-5-16)20-11-28-13-29-20/h1-6,9-11,13H,7-8,12H2,(H,28,29)(H,30,33)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251894
PNG
(US9475809, 6)
Show SMILES FC(F)(F)c1n[nH]c(n1)-c1ccc(NC(=O)Cn2c3CCC(=O)c3c(cc2=O)-c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C25H16Cl2F3N5O3/c26-13-3-6-17(27)15(9-13)16-10-21(38)35(18-7-8-19(36)22(16)18)11-20(37)31-14-4-1-12(2-5-14)23-32-24(34-33-23)25(28,29)30/h1-6,9-10H,7-8,11H2,(H,31,37)(H,32,33,34)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251899
PNG
(US9475809, 11)
Show SMILES FC(F)(F)c1ccc(Cl)cc1-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2cc(=O)[nH][nH]2)c2CCC(=O)c12
Show InChI InChI=1S/C26H18ClF3N4O4/c27-14-3-6-18(26(28,29)30)16(9-14)17-10-24(38)34(20-7-8-21(35)25(17)20)12-23(37)31-15-4-1-13(2-5-15)19-11-22(36)33-32-19/h1-6,9-11H,7-8,12H2,(H,31,37)(H2,32,33,36)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM251889
PNG
(US9475809, 1)
Show SMILES Clc1cccc(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2nnn[nH]2)c2CNC(=O)c12
Show InChI InChI=1S/C22H16ClN7O3/c23-14-3-1-2-13(8-14)16-9-19(32)30(17-10-24-22(33)20(16)17)11-18(31)25-15-6-4-12(5-7-15)21-26-28-29-27-21/h1-9H,10-11H2,(H,24,33)(H,25,31)(H,26,27,28,29)
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Assay Description
The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...


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