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Patent code US10077265

Compile Data Set for Download or QSAR
Found 28 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
Plasma kallikrein


(Homo sapiens (Human))
BDBM285517
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285515
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(O)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H22ClN5O6/c1-37-8-6-21(25(34)30-17-5-7-32-22(10-17)20(13-29-32)26(35)36)31-14-23(38-2)19(11-24(31)33)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)(H,35,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285517
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285515
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(O)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H22ClN5O6/c1-37-8-6-21(25(34)30-17-5-7-32-22(10-17)20(13-29-32)26(35)36)31-14-23(38-2)19(11-24(31)33)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)(H,35,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285522
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12
Show InChI InChI=1S/C30H31ClN6O6/c1-41-11-4-9-33-29(39)24-17-34-37-10-7-21(14-26(24)37)35-30(40)25(8-12-42-2)36-18-27(43-3)23(15-28(36)38)22-13-20(31)6-5-19(22)16-32/h5-7,10,13-15,17-18,25H,4,8-9,11-12H2,1-3H3,(H,33,39)(H,35,40)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285527
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCO)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H27ClN6O6/c1-40-10-6-23(28(39)33-19-5-8-35-24(12-19)22(15-32-35)27(38)31-7-9-36)34-16-25(41-2)21(13-26(34)37)20-11-18(29)4-3-17(20)14-30/h3-5,8,11-13,15-16,23,36H,6-7,9-10H2,1-2H3,(H,31,38)(H,33,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285521
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12
Show InChI InChI=1S/C29H29ClN6O6/c1-40-10-7-24(35-17-26(42-3)22(14-27(35)37)21-12-19(30)5-4-18(21)15-31)29(39)34-20-6-9-36-25(13-20)23(16-33-36)28(38)32-8-11-41-2/h4-6,9,12-14,16-17,24H,7-8,10-11H2,1-3H3,(H,32,38)(H,34,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285525
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCC(F)(F)F)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H24ClF3N6O5/c1-42-8-6-22(37-14-24(43-2)20(11-25(37)39)19-9-17(29)4-3-16(19)12-33)27(41)36-18-5-7-38-23(10-18)21(13-35-38)26(40)34-15-28(30,31)32/h3-5,7,9-11,13-14,22H,6,8,15H2,1-2H3,(H,34,40)(H,36,41)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285514
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccn2ncc(C(O)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(12-28-31)25(34)35)30-13-22(36-2)18(10-23(30)32)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)(H,34,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285526
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCCO)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H29ClN6O6/c1-41-11-7-24(35-17-26(42-2)22(14-27(35)38)21-12-19(30)5-4-18(21)15-31)29(40)34-20-6-9-36-25(13-20)23(16-33-36)28(39)32-8-3-10-37/h4-6,9,12-14,16-17,24,37H,3,7-8,10-11H2,1-2H3,(H,32,39)(H,34,40)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285517
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285520
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12
Show InChI InChI=1S/C29H29ClN6O5/c1-4-9-32-28(38)23-16-33-36-10-7-20(13-25(23)36)34-29(39)24(8-11-40-2)35-17-26(41-3)22(14-27(35)37)21-12-19(30)6-5-18(21)15-31/h5-7,10,12-14,16-17,24H,4,8-9,11H2,1-3H3,(H,32,38)(H,34,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285524
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCC(F)(F)F)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H26ClF3N6O5/c1-43-10-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-9-39-24(12-19)22(15-36-39)27(41)35-8-7-29(31,32)33/h3-5,9,11-13,15-16,23H,6-8,10H2,1-2H3,(H,35,41)(H,37,42)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285523
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCOC(F)(F)F)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H26ClF3N6O6/c1-43-9-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-8-39-24(12-19)22(15-36-39)27(41)35-7-10-45-29(31,32)33/h3-5,8,11-13,15-16,23H,6-7,9-10H2,1-2H3,(H,35,41)(H,37,42)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285516
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H21ClN6O4/c1-3-20(25(35)30-16-6-7-32-21(9-16)19(12-29-32)24(28)34)31-13-22(36-2)18(10-23(31)33)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H2,28,34)(H,30,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285517
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)31-17-5-7-33-22(10-17)20(13-30-33)25(29)35)32-14-23(38-2)19(11-24(32)34)18-9-16(27)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H2,29,35)(H,31,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285514
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccn2ncc(C(O)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(12-28-31)25(34)35)30-13-22(36-2)18(10-23(30)32)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)(H,34,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285527
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCO)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H27ClN6O6/c1-40-10-6-23(28(39)33-19-5-8-35-24(12-19)22(15-32-35)27(38)31-7-9-36)34-16-25(41-2)21(13-26(34)37)20-11-18(29)4-3-17(20)14-30/h3-5,8,11-13,15-16,23,36H,6-7,9-10H2,1-2H3,(H,31,38)(H,33,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM285519
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)N(C)C)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H27ClN6O5/c1-33(2)28(38)22-15-31-35-9-7-19(12-24(22)35)32-27(37)23(8-10-39-3)34-16-25(40-4)21(13-26(34)36)20-11-18(29)6-5-17(20)14-30/h5-7,9,11-13,15-16,23H,8,10H2,1-4H3,(H,32,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285522
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12
Show InChI InChI=1S/C30H31ClN6O6/c1-41-11-4-9-33-29(39)24-17-34-37-10-7-21(14-26(24)37)35-30(40)25(8-12-42-2)36-18-27(43-3)23(15-28(36)38)22-13-20(31)6-5-19(22)16-32/h5-7,10,13-15,17-18,25H,4,8-9,11-12H2,1-3H3,(H,33,39)(H,35,40)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285521
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12
Show InChI InChI=1S/C29H29ClN6O6/c1-40-10-7-24(35-17-26(42-3)22(14-27(35)37)21-12-19(30)5-4-18(21)15-31)29(39)34-20-6-9-36-25(13-20)23(16-33-36)28(38)32-8-11-41-2/h4-6,9,12-14,16-17,24H,7-8,10-11H2,1-3H3,(H,32,38)(H,34,39)
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n/an/a 29n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285525
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCC(F)(F)F)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H24ClF3N6O5/c1-42-8-6-22(37-14-24(43-2)20(11-25(37)39)19-9-17(29)4-3-16(19)12-33)27(41)36-18-5-7-38-23(10-18)21(13-35-38)26(40)34-15-28(30,31)32/h3-5,7,9-11,13-14,22H,6,8,15H2,1-2H3,(H,34,40)(H,36,41)
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n/an/a 33n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285526
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCCO)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H29ClN6O6/c1-41-11-7-24(35-17-26(42-2)22(14-27(35)38)21-12-19(30)5-4-18(21)15-31)29(40)34-20-6-9-36-25(13-20)23(16-33-36)28(39)32-8-3-10-37/h4-6,9,12-14,16-17,24,37H,3,7-8,10-11H2,1-2H3,(H,32,39)(H,34,40)
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n/an/a 38n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285524
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCC(F)(F)F)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H26ClF3N6O5/c1-43-10-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-9-39-24(12-19)22(15-36-39)27(41)35-8-7-29(31,32)33/h3-5,9,11-13,15-16,23H,6-8,10H2,1-2H3,(H,35,41)(H,37,42)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285523
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCOC(F)(F)F)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H26ClF3N6O6/c1-43-9-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-8-39-24(12-19)22(15-36-39)27(41)35-7-10-45-29(31,32)33/h3-5,8,11-13,15-16,23H,6-7,9-10H2,1-2H3,(H,35,41)(H,37,42)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285520
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCCNC(=O)c1cnn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc12
Show InChI InChI=1S/C29H29ClN6O5/c1-4-9-32-28(38)23-16-33-36-10-7-20(13-25(23)36)34-29(39)24(8-11-40-2)35-17-26(41-3)22(14-27(35)37)21-12-19(30)6-5-18(21)15-31/h5-7,10,12-14,16-17,24H,4,8-9,11H2,1-3H3,(H,32,38)(H,34,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285519
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(C(=O)N(C)C)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H27ClN6O5/c1-33(2)28(38)22-15-31-35-9-7-19(12-24(22)35)32-27(37)23(8-10-39-3)34-16-25(40-4)21(13-26(34)36)20-11-18(29)6-5-17(20)14-30/h5-7,9,11-13,15-16,23H,8,10H2,1-4H3,(H,32,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM285516
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccn2ncc(C(N)=O)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H21ClN6O4/c1-3-20(25(35)30-16-6-7-32-21(9-16)19(12-29-32)24(28)34)31-13-22(36-2)18(10-23(31)33)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H2,28,34)(H,30,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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


US Patent US10077265 (2018)

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