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Patent code US9765070

Compile Data Set for Download or QSAR
Found 81 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))
BDBM341292
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H26ClN5O6/c1-40-25-16-35(27(36)12-22(25)21-10-18(30)6-5-17(21)13-31)24(11-20-4-2-3-9-41-20)28(37)32-19-7-8-26-33-23(29(38)39)15-34(26)14-19/h5-8,10,12,14-16,20,24H,2-4,9,11H2,1H3,(H,32,37)(H,38,39)/t20-,24?/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341277
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(CC2CCC2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H24ClN5O5/c1-39-24-15-34(26(35)11-21(24)20-10-18(29)6-5-17(20)12-30)23(9-16-3-2-4-16)27(36)31-19-7-8-25-32-22(28(37)38)14-33(25)13-19/h5-8,10-11,13-16,23H,2-4,9H2,1H3,(H,31,36)(H,37,38)
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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341191
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccc2nc(cn2c1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-20(24(33)28-16-6-7-22-29-19(25(34)35)12-30(22)11-16)31-13-21(36-2)18(9-23(31)32)17-8-15(26)5-4-14(17)10-27/h4-9,11-13,20H,3H2,1-2H3,(H,28,33)(H,34,35)
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n/an/a 2.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341295
PNG
(7-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2cc(nc2c1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)30-17-5-7-32-13-20(25(29)35)31-23(32)10-17)33-14-22(38-2)19(11-24(33)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,30,36)
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n/an/a 3.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341318
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H22ClN5O4/c1-34-10-7-22(25(33)29-18-6-9-31-19(12-18)5-8-28-31)30-15-23(35-2)21(13-24(30)32)20-11-17(26)4-3-16(20)14-27/h3-6,8-9,11-13,15,22H,7,10H2,1-2H3,(H,29,33)
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n/an/a 3.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341318
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H22ClN5O4/c1-34-10-7-22(25(33)29-18-6-9-31-19(12-18)5-8-28-31)30-15-23(35-2)21(13-24(30)32)20-11-17(26)4-3-16(20)14-27/h3-6,8-9,11-13,15,22H,7,10H2,1-2H3,(H,29,33)
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n/an/a 3.60n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341318
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H22ClN5O4/c1-34-10-7-22(25(33)29-18-6-9-31-19(12-18)5-8-28-31)30-15-23(35-2)21(13-24(30)32)20-11-17(26)4-3-16(20)14-27/h3-6,8-9,11-13,15,22H,7,10H2,1-2H3,(H,29,33)
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341318
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H22ClN5O4/c1-34-10-7-22(25(33)29-18-6-9-31-19(12-18)5-8-28-31)30-15-23(35-2)21(13-24(30)32)20-11-17(26)4-3-16(20)14-27/h3-6,8-9,11-13,15,22H,7,10H2,1-2H3,(H,29,33)
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n/an/a 4.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341292
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H26ClN5O6/c1-40-25-16-35(27(36)12-22(25)21-10-18(30)6-5-17(21)13-31)24(11-20-4-2-3-9-41-20)28(37)32-19-7-8-26-33-23(29(38)39)15-34(26)14-19/h5-8,10,12,14-16,20,24H,2-4,9,11H2,1H3,(H,32,37)(H,38,39)/t20-,24?/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341295
PNG
(7-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COCCC(C(=O)Nc1ccn2cc(nc2c1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H23ClN6O5/c1-37-8-6-21(26(36)30-17-5-7-32-13-20(25(29)35)31-23(32)10-17)33-14-22(38-2)19(11-24(33)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,30,36)
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n/an/a 4.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341294
PNG
(Ethyl 7-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-...)
Show SMILES CCOC(=O)c1cn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc2n1
Show InChI InChI=1S/C28H26ClN5O6/c1-4-40-28(37)22-15-33-9-7-19(12-25(33)32-22)31-27(36)23(8-10-38-2)34-16-24(39-3)21(13-26(34)35)20-11-18(29)6-5-17(20)14-30/h5-7,9,11-13,15-16,23H,4,8,10H2,1-3H3,(H,31,36)
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n/an/a 5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341269
PNG
(7-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccn2cc(nc2c1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-20(24(33)28-16-6-7-30-12-19(25(34)35)29-22(30)9-16)31-13-21(36-2)18(10-23(31)32)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,28,33)(H,34,35)
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n/an/a 6.60n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341293
PNG
(Ethyl 6-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-...)
Show SMILES CCOC(=O)c1cnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cn12
Show InChI InChI=1S/C28H26ClN5O6/c1-4-40-28(37)23-14-31-25-8-7-19(15-33(23)25)32-27(36)22(9-10-38-2)34-16-24(39-3)21(12-26(34)35)20-11-18(29)6-5-17(20)13-30/h5-8,11-12,14-16,22H,4,9-10H2,1-3H3,(H,32,36)
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n/an/a 7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341277
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(CC2CCC2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H24ClN5O5/c1-39-24-15-34(26(35)11-21(24)20-10-18(29)6-5-17(20)12-30)23(9-16-3-2-4-16)27(36)31-19-7-8-25-32-22(28(37)38)14-33(25)13-19/h5-8,10-11,13-16,23H,2-4,9H2,1H3,(H,31,36)(H,37,38)
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n/an/a 7.10n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341304
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nncn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H21ClN6O4/c1-34-8-7-20(24(33)28-17-5-6-22-29-27-14-30(22)12-17)31-13-21(35-2)19(10-23(31)32)18-9-16(25)4-3-15(18)11-26/h3-6,9-10,12-14,20H,7-8H2,1-2H3,(H,28,33)
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n/an/a 8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341305
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nnc(C)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H23ClN6O4/c1-15-29-30-23-7-6-18(13-31(15)23)28-25(34)21(8-9-35-2)32-14-22(36-3)20(11-24(32)33)19-10-17(26)5-4-16(19)12-27/h4-7,10-11,13-14,21H,8-9H2,1-3H3,(H,28,34)
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n/an/a 8.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341311
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H21ClN6O3/c1-38-25-17-35(27(36)14-23(25)22-12-19(29)6-5-18(22)15-30)24(13-20-4-2-3-9-31-20)28(37)33-21-7-8-26-32-10-11-34(26)16-21/h2-12,14,16-17,24H,13H2,1H3,(H,33,37)
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n/an/a 8.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341312
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H19ClN6O4/c1-36-23-14-33(25(34)10-21(23)20-8-17(27)3-2-16(20)11-28)22(9-19-12-29-15-37-19)26(35)31-18-4-5-24-30-6-7-32(24)13-18/h2-8,10,12-15,22H,9H2,1H3,(H,31,35)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341289
PNG
(6-({[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyr...)
Show SMILES COc1cn(CC(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C23H16ClN5O5/c1-34-19-11-29(22(31)7-17(19)16-6-14(24)3-2-13(16)8-25)12-21(30)26-15-4-5-20-27-18(23(32)33)10-28(20)9-15/h2-7,9-11H,12H2,1H3,(H,26,30)(H,32,33)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341299
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(C[C@H]2CC[C@H](O)CC2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H28ClN5O4/c1-39-26-17-35(28(37)14-24(26)23-13-20(30)5-4-19(23)15-31)25(12-18-2-7-22(36)8-3-18)29(38)33-21-6-9-27-32-10-11-34(27)16-21/h4-6,9-11,13-14,16-18,22,25,36H,2-3,7-8,12H2,1H3,(H,33,38)/t18-,22-,25?
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341324
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H21Cl2N5O4/c1-35-8-6-21(25(34)30-17-5-7-32-22(10-17)20(27)13-29-32)31-14-23(36-2)19(11-24(31)33)18-9-16(26)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341309
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nnc(CN3CCOCC3)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H30ClN7O5/c1-40-10-7-24(36-17-25(41-2)23(14-28(36)38)22-13-20(30)4-3-19(22)15-31)29(39)32-21-5-6-26-33-34-27(37(26)16-21)18-35-8-11-42-12-9-35/h3-6,13-14,16-17,24H,7-12,18H2,1-2H3,(H,32,39)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341290
PNG
(6-[(2-{4-[5-Chloro-2-(difluoromethoxy)phenyl]-5-me...)
Show SMILES CCC(C(=O)Nc1ccc2nc(cn2c1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H21ClF2N4O6/c1-3-18(23(34)29-14-5-7-21-30-17(24(35)36)11-31(21)10-14)32-12-20(37-2)16(9-22(32)33)15-8-13(26)4-6-19(15)38-25(27)28/h4-12,18,25H,3H2,1-2H3,(H,29,34)(H,35,36)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341311
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H21ClN6O3/c1-38-25-17-35(27(36)14-23(25)22-12-19(29)6-5-18(22)15-30)24(13-20-4-2-3-9-31-20)28(37)33-21-7-8-26-32-10-11-34(26)16-21/h2-12,14,16-17,24H,13H2,1H3,(H,33,37)
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n/an/a 12n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341306
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCc1nnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cn12
Show InChI InChI=1S/C26H25ClN6O4/c1-4-23-30-31-24-8-7-18(14-33(23)24)29-26(35)21(9-10-36-2)32-15-22(37-3)20(12-25(32)34)19-11-17(27)6-5-16(19)13-28/h5-8,11-12,14-15,21H,4,9-10H2,1-3H3,(H,29,35)
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341296
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nccn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H22ClN5O4/c1-34-10-7-21(25(33)29-18-5-6-23-28-8-9-30(23)14-18)31-15-22(35-2)20(12-24(31)32)19-11-17(26)4-3-16(19)13-27/h3-6,8-9,11-12,14-15,21H,7,10H2,1-2H3,(H,29,33)
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341269
PNG
(7-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccn2cc(nc2c1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-20(24(33)28-16-6-7-30-12-19(25(34)35)29-22(30)9-16)31-13-21(36-2)18(10-23(31)32)17-8-15(26)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,28,33)(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341320
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-9-6-22(24(33)29-17-5-8-31-18(11-17)4-7-28-31)30-14-21(26)20(12-23(30)32)19-10-16(25)3-2-15(19)13-27/h2-5,7-8,10-12,14,22H,6,9H2,1H3,(H,29,33)
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341191
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1ccc2nc(cn2c1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-20(24(33)28-16-6-7-22-29-19(25(34)35)12-30(22)11-16)31-13-21(36-2)18(9-23(31)32)17-8-15(26)5-4-14(17)10-27/h4-9,11-13,20H,3H2,1-2H3,(H,28,33)(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341307
PNG
(N-(3-Butyl[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-[4...)
Show SMILES CCCCc1nnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cn12
Show InChI InChI=1S/C28H29ClN6O4/c1-4-5-6-25-32-33-26-10-9-20(16-35(25)26)31-28(37)23(11-12-38-2)34-17-24(39-3)22(14-27(34)36)21-13-19(29)8-7-18(21)15-30/h7-10,13-14,16-17,23H,4-6,11-12H2,1-3H3,(H,31,37)
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n/an/a 16n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341296
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nccn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H22ClN5O4/c1-34-10-7-21(25(33)29-18-5-6-23-28-8-9-30(23)14-18)31-15-22(35-2)20(12-24(31)32)19-11-17(26)4-3-16(19)13-27/h3-6,8-9,11-12,14-15,21H,7,10H2,1-2H3,(H,29,33)
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n/an/a 16n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341312
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H19ClN6O4/c1-36-23-14-33(25(34)10-21(23)20-8-17(27)3-2-16(20)11-28)22(9-19-12-29-15-37-19)26(35)31-18-4-5-24-30-6-7-32(24)13-18/h2-8,10,12-15,22H,9H2,1H3,(H,31,35)
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n/an/a 16n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341317
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H20ClN5O3/c1-3-21(24(32)28-17-7-9-30-18(11-17)6-8-27-30)29-14-22(33-2)20(12-23(29)31)19-10-16(25)5-4-15(19)13-26/h4-12,14,21H,3H2,1-2H3,(H,28,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341299
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(C[C@H]2CC[C@H](O)CC2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H28ClN5O4/c1-39-26-17-35(28(37)14-24(26)23-13-20(30)5-4-19(23)15-31)25(12-18-2-7-22(36)8-3-18)29(38)33-21-6-9-27-32-10-11-34(27)16-21/h4-6,9-11,13-14,16-18,22,25,36H,2-3,7-8,12H2,1H3,(H,33,38)/t18-,22-,25?
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n/an/a 17n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341294
PNG
(Ethyl 7-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-...)
Show SMILES CCOC(=O)c1cn2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cc2n1
Show InChI InChI=1S/C28H26ClN5O6/c1-4-40-28(37)22-15-33-9-7-19(12-25(33)32-22)31-27(36)23(8-10-38-2)34-16-24(39-3)21(13-26(34)35)20-11-18(29)6-5-17(20)14-30/h5-7,9,11-13,15-16,23H,4,8,10H2,1-3H3,(H,31,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341308
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nnc(CN(C)C)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C27H28ClN7O4/c1-33(2)16-25-32-31-24-8-7-19(14-35(24)25)30-27(37)22(9-10-38-3)34-15-23(39-4)21(12-26(34)36)20-11-18(28)6-5-17(20)13-29/h5-8,11-12,14-15,22H,9-10,16H2,1-4H3,(H,30,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341304
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nncn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H21ClN6O4/c1-34-8-7-20(24(33)28-17-5-6-22-29-27-14-30(22)12-17)31-13-21(35-2)19(10-23(31)32)18-9-16(25)4-3-15(18)11-26/h3-6,9-10,12-14,20H,7-8H2,1-2H3,(H,28,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341317
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccn2nccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H20ClN5O3/c1-3-21(24(32)28-17-7-9-30-18(11-17)6-8-27-30)29-14-22(33-2)20(12-23(29)31)19-10-16(25)5-4-15(19)13-26/h4-12,14,21H,3H2,1-2H3,(H,28,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341303
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2nncn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C23H19ClN6O3/c1-3-19(23(32)27-16-6-7-21-28-26-13-29(21)11-16)30-12-20(33-2)18(9-22(30)31)17-8-15(24)5-4-14(17)10-25/h4-9,11-13,19H,3H2,1-2H3,(H,27,32)
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n/an/a 23n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341308
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nnc(CN(C)C)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C27H28ClN7O4/c1-33(2)16-25-32-31-24-8-7-19(14-35(24)25)30-27(37)22(9-10-38-3)34-15-23(39-4)21(12-26(34)36)20-11-18(28)6-5-17(20)13-29/h5-8,11-12,14-15,22H,9-10,16H2,1-4H3,(H,30,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341309
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nnc(CN3CCOCC3)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H30ClN7O5/c1-40-10-7-24(36-17-25(41-2)23(14-28(36)38)22-13-20(30)4-3-19(22)15-31)29(39)32-21-5-6-26-33-34-27(37(26)16-21)18-35-8-11-42-12-9-35/h3-6,13-14,16-17,24H,7-12,18H2,1-2H3,(H,32,39)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341300
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2ncc(Cl)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-3-19(24(33)29-16-6-7-22-28-11-21(26)31(22)12-16)30-13-20(34-2)18(9-23(30)32)17-8-15(25)5-4-14(17)10-27/h4-9,11-13,19H,3H2,1-2H3,(H,29,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341302
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nc(cn2c1)-c1ccc(F)cc1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C31H25ClFN5O4/c1-41-12-11-27(38-18-28(42-2)25(14-30(38)39)24-13-21(32)6-3-20(24)15-34)31(40)35-23-9-10-29-36-26(17-37(29)16-23)19-4-7-22(33)8-5-19/h3-10,13-14,16-18,27H,11-12H2,1-2H3,(H,35,40)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341324
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H21Cl2N5O4/c1-35-8-6-21(25(34)30-17-5-7-32-22(10-17)20(27)13-29-32)31-14-23(36-2)19(11-24(31)33)18-9-16(26)4-3-15(18)12-28/h3-5,7,9-11,13-14,21H,6,8H2,1-2H3,(H,30,34)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341305
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nnc(C)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H23ClN6O4/c1-15-29-30-23-7-6-18(13-31(15)23)28-25(34)21(8-9-35-2)32-14-22(36-3)20(11-24(32)33)19-10-17(26)5-4-16(19)12-27/h4-7,10-11,13-14,21H,8-9H2,1-3H3,(H,28,34)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341320
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-9-6-22(24(33)29-17-5-8-31-18(11-17)4-7-28-31)30-14-21(26)20(12-23(30)32)19-10-16(25)3-2-15(19)13-27/h2-5,7-8,10-12,14,22H,6,9H2,1H3,(H,29,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341320
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-9-6-22(24(33)29-17-5-8-31-18(11-17)4-7-28-31)30-14-21(26)20(12-23(30)32)19-10-16(25)3-2-15(19)13-27/h2-5,7-8,10-12,14,22H,6,9H2,1H3,(H,29,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341298
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(CC2CCC2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C27H24ClN5O3/c1-36-24-16-33(26(34)13-22(24)21-12-19(28)6-5-18(21)14-29)23(11-17-3-2-4-17)27(35)31-20-7-8-25-30-9-10-32(25)15-20/h5-10,12-13,15-17,23H,2-4,11H2,1H3,(H,31,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341297
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccc2nccn2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-9-6-21(24(33)29-17-4-5-22-28-7-8-30(22)13-17)31-14-20(26)19(11-23(31)32)18-10-16(25)3-2-15(18)12-27/h2-5,7-8,10-11,13-14,21H,6,9H2,1H3,(H,29,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341190
PNG
(2-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1cn2cc(ccc2n1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-19(24(33)29-21-13-30-11-15(25(34)35)5-7-22(30)28-21)31-12-20(36-2)18(9-23(31)32)17-8-16(26)6-4-14(17)10-27/h4-9,11-13,19H,3H2,1-2H3,(H,29,33)(H,34,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341302
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COCCC(C(=O)Nc1ccc2nc(cn2c1)-c1ccc(F)cc1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C31H25ClFN5O4/c1-41-12-11-27(38-18-28(42-2)25(14-30(38)39)24-13-21(32)6-3-20(24)15-34)31(40)35-23-9-10-29-36-26(17-37(29)16-23)19-4-7-22(33)8-5-19/h3-10,13-14,16-18,27H,11-12H2,1-2H3,(H,35,40)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341315
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(CC2=C[O]=CN2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H20ClN6O4/c1-36-23-13-33(25(34)10-21(23)20-8-17(27)3-2-16(20)11-28)22(9-19-14-37-15-30-19)26(35)31-18-4-5-24-29-6-7-32(24)12-18/h2-8,10,12-15,22,30H,9H2,1H3,(H,31,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341293
PNG
(Ethyl 6-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-...)
Show SMILES CCOC(=O)c1cnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cn12
Show InChI InChI=1S/C28H26ClN5O6/c1-4-40-28(37)23-14-31-25-8-7-19(15-33(23)25)32-27(36)22(9-10-38-2)34-16-24(39-3)21(12-26(34)35)20-11-18(29)6-5-17(20)13-30/h5-8,11-12,14-16,22H,4,9-10H2,1-3H3,(H,32,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341298
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(CC2CCC2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C27H24ClN5O3/c1-36-24-16-33(26(34)13-22(24)21-12-19(28)6-5-18(21)14-29)23(11-17-3-2-4-17)27(35)31-20-7-8-25-30-9-10-32(25)15-20/h5-10,12-13,15-17,23H,2-4,11H2,1H3,(H,31,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341274
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2nccn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H20ClN5O3/c1-3-20(24(32)28-17-6-7-22-27-8-9-29(22)13-17)30-14-21(33-2)19(11-23(30)31)18-10-16(25)5-4-15(18)12-26/h4-11,13-14,20H,3H2,1-2H3,(H,28,32)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341310
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccc2cncn2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-7-6-22(24(33)29-17-4-5-18-11-28-14-30(18)12-17)31-13-21(26)20(9-23(31)32)19-8-16(25)3-2-15(19)10-27/h2-5,8-9,11-14,22H,6-7H2,1H3,(H,29,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341323
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(26)12-28-31)30-13-22(34-2)18(10-23(30)32)17-8-15(25)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341306
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCc1nnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cn12
Show InChI InChI=1S/C26H25ClN6O4/c1-4-23-30-31-24-8-7-18(14-33(23)24)29-26(35)21(9-10-36-2)32-15-22(37-3)20(12-25(32)34)19-11-17(27)6-5-16(19)13-28/h5-8,11-12,14-15,21H,4,9-10H2,1-3H3,(H,29,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341289
PNG
(6-({[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyr...)
Show SMILES COc1cn(CC(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C23H16ClN5O5/c1-34-19-11-29(22(31)7-17(19)16-6-14(24)3-2-13(16)8-25)12-21(30)26-15-4-5-20-27-18(23(32)33)10-28(20)9-15/h2-7,9-11H,12H2,1H3,(H,26,30)(H,32,33)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341307
PNG
(N-(3-Butyl[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-[4...)
Show SMILES CCCCc1nnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(cc3=O)-c3cc(Cl)ccc3C#N)cn12
Show InChI InChI=1S/C28H29ClN6O4/c1-4-5-6-25-32-33-26-10-9-20(16-35(25)26)31-28(37)23(11-12-38-2)34-17-24(39-3)22(14-27(34)36)21-13-19(29)8-7-18(21)15-30/h7-10,13-14,16-17,23H,4-6,11-12H2,1-3H3,(H,31,37)
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n/an/a 63n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341297
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccc2nccn2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-9-6-21(24(33)29-17-4-5-22-28-7-8-30(22)13-17)31-14-20(26)19(11-23(31)32)18-10-16(25)3-2-15(18)12-27/h2-5,7-8,10-11,13-14,21H,6,9H2,1H3,(H,29,33)
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n/an/a 65n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341274
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2nccn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H20ClN5O3/c1-3-20(24(32)28-17-6-7-22-27-8-9-29(22)13-17)30-14-21(33-2)19(11-23(30)31)18-10-16(25)5-4-15(18)12-26/h4-11,13-14,20H,3H2,1-2H3,(H,28,32)
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n/an/a 65n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341320
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-9-6-22(24(33)29-17-5-8-31-18(11-17)4-7-28-31)30-14-21(26)20(12-23(30)32)19-10-16(25)3-2-15(19)13-27/h2-5,7-8,10-12,14,22H,6,9H2,1H3,(H,29,33)
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n/an/a 65n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341300
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2ncc(Cl)n2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-3-19(24(33)29-16-6-7-22-28-11-21(26)31(22)12-16)30-13-20(34-2)18(9-23(30)32)17-8-15(25)5-4-14(17)10-27/h4-9,11-13,19H,3H2,1-2H3,(H,29,33)
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n/an/a 65n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341303
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2nncn2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C23H19ClN6O3/c1-3-19(23(32)27-16-6-7-21-28-26-13-29(21)11-16)30-12-20(33-2)18(9-22(30)31)17-8-15(24)5-4-14(17)10-25/h4-9,11-13,19H,3H2,1-2H3,(H,27,32)
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n/an/a 86n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341315
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES COc1cn(C(CC2=C[O]=CN2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H20ClN6O4/c1-36-23-13-33(25(34)10-21(23)20-8-17(27)3-2-16(20)11-28)22(9-19-14-37-15-30-19)26(35)31-18-4-5-24-29-6-7-32(24)12-18/h2-8,10,12-15,22,30H,9H2,1H3,(H,31,35)
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n/an/a 92n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341310
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES COCCC(C(=O)Nc1ccc2cncn2c1)n1cc(Cl)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-34-7-6-22(24(33)29-17-4-5-18-11-28-14-30(18)12-17)31-13-21(26)20(9-23(31)32)19-8-16(25)3-2-15(19)10-27/h2-5,8-9,11-14,22H,6-7H2,1H3,(H,29,33)
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n/an/a 96n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341313
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(cc1Cl)C(Cc1cnco1)C(=O)Nc1ccc2nccn2c1
Show InChI InChI=1S/C25H16Cl2N6O3/c26-16-2-1-15(10-28)19(7-16)20-9-24(34)33(13-21(20)27)22(8-18-11-29-14-36-18)25(35)31-17-3-4-23-30-5-6-32(23)12-17/h1-7,9,11-14,22H,8H2,(H,31,35)
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n/an/a 96n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341313
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(cc1Cl)C(Cc1cnco1)C(=O)Nc1ccc2nccn2c1
Show InChI InChI=1S/C25H16Cl2N6O3/c26-16-2-1-15(10-28)19(7-16)20-9-24(34)33(13-21(20)27)22(8-18-11-29-14-36-18)25(35)31-17-3-4-23-30-5-6-32(23)12-17/h1-7,9,11-14,22H,8H2,(H,31,35)
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n/an/a 120n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341301
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2nc(cn2c1)-c1ccc(F)cc1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C30H23ClFN5O3/c1-3-26(37-17-27(40-2)24(13-29(37)38)23-12-20(31)7-4-19(23)14-33)30(39)34-22-10-11-28-35-25(16-36(28)15-22)18-5-8-21(32)9-6-18/h4-13,15-17,26H,3H2,1-2H3,(H,34,39)
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341323
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccn2ncc(Cl)c2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H19Cl2N5O3/c1-3-20(24(33)29-16-6-7-31-21(9-16)19(26)12-28-31)30-13-22(34-2)18(10-23(30)32)17-8-15(25)5-4-14(17)11-27/h4-10,12-13,20H,3H2,1-2H3,(H,29,33)
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n/an/a 140n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341190
PNG
(2-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES CCC(C(=O)Nc1cn2cc(ccc2n1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H20ClN5O5/c1-3-19(24(33)29-21-13-30-11-15(25(34)35)5-7-22(30)28-21)31-12-20(36-2)18(9-23(31)32)17-8-16(26)6-4-14(17)10-27/h4-9,11-13,19H,3H2,1-2H3,(H,29,33)(H,34,35)
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n/an/a 140n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341290
PNG
(6-[(2-{4-[5-Chloro-2-(difluoromethoxy)phenyl]-5-me...)
Show SMILES CCC(C(=O)Nc1ccc2nc(cn2c1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H21ClF2N4O6/c1-3-18(23(34)29-14-5-7-21-30-17(24(35)36)11-31(21)10-14)32-12-20(37-2)16(9-22(32)33)15-8-13(26)4-6-19(15)38-25(27)28/h4-12,18,25H,3H2,1-2H3,(H,29,34)(H,35,36)
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n/an/a 150n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341322
PNG
(4-(5-Chloro-2-cyanophenyl)-6-oxo-1-[1-oxo-1-(pyraz...)
Show SMILES CCC(C(=O)Nc1ccn2nccc2c1)n1cc(C(O)=O)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H18ClN5O4/c1-2-21(23(32)28-16-6-8-30-17(10-16)5-7-27-30)29-13-20(24(33)34)19(11-22(29)31)18-9-15(25)4-3-14(18)12-26/h3-11,13,21H,2H2,1H3,(H,28,32)(H,33,34)
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n/an/a 180n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341301
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyrid...)
Show SMILES CCC(C(=O)Nc1ccc2nc(cn2c1)-c1ccc(F)cc1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C30H23ClFN5O3/c1-3-26(37-17-27(40-2)24(13-29(37)38)23-12-20(31)7-4-19(23)14-33)30(39)34-22-10-11-28-35-25(16-36(28)15-22)18-5-8-21(32)9-6-18/h4-13,15-17,26H,3H2,1-2H3,(H,34,39)
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n/an/a 220n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341316
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(cc1Cl)C(CC1=C[O]=CN1)C(=O)Nc1ccc2nccn2c1
Show InChI InChI=1S/C25H17Cl2N6O3/c26-16-2-1-15(10-28)19(7-16)20-9-24(34)33(12-21(20)27)22(8-18-13-36-14-30-18)25(35)31-17-3-4-23-29-5-6-32(23)11-17/h1-7,9,11-14,22,30H,8H2,(H,31,35)
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n/an/a 250n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341316
PNG
(2-[5-Chloro-4-(5-chloro-2-cyanophenyl)-2-oxopyridi...)
Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(cc1Cl)C(CC1=C[O]=CN1)C(=O)Nc1ccc2nccn2c1
Show InChI InChI=1S/C25H17Cl2N6O3/c26-16-2-1-15(10-28)19(7-16)20-9-24(34)33(12-21(20)27)22(8-18-13-36-14-30-18)25(35)31-17-3-4-23-29-5-6-32(23)11-17/h1-7,9,11-14,22,30H,8H2,(H,31,35)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341291
PNG
(6-[({5-Chloro-4-[5-chloro-2-(difluoromethoxy)pheny...)
Show SMILES OC(=O)c1cn2cc(NC(=O)Cn3cc(Cl)c(cc3=O)-c3cc(Cl)ccc3OC(F)F)ccc2n1
Show InChI InChI=1S/C22H14Cl2F2N4O5/c23-11-1-3-17(35-22(25)26)14(5-11)13-6-20(32)30(8-15(13)24)10-19(31)27-12-2-4-18-28-16(21(33)34)9-29(18)7-12/h1-9,22H,10H2,(H,27,31)(H,33,34)
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n/an/a 380n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341314
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-(difluoromethoxy)-...)
Show SMILES FC(F)Oc1cn(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H17ClF2N6O4/c27-16-2-1-15(10-30)19(7-16)20-9-24(36)35(13-22(20)39-26(28)29)21(8-18-11-31-14-38-18)25(37)33-17-3-4-23-32-5-6-34(23)12-17/h1-7,9,11-14,21,26H,8H2,(H,33,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341314
PNG
(2-[4-(5-Chloro-2-cyanophenyl)-5-(difluoromethoxy)-...)
Show SMILES FC(F)Oc1cn(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C26H17ClF2N6O4/c27-16-2-1-15(10-30)19(7-16)20-9-24(36)35(13-22(20)39-26(28)29)21(8-18-11-31-14-38-18)25(37)33-17-3-4-23-32-5-6-34(23)12-17/h1-7,9,11-14,21,26H,8H2,(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 970n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM341322
PNG
(4-(5-Chloro-2-cyanophenyl)-6-oxo-1-[1-oxo-1-(pyraz...)
Show SMILES CCC(C(=O)Nc1ccn2nccc2c1)n1cc(C(O)=O)c(cc1=O)-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C24H18ClN5O4/c1-2-21(23(32)28-16-6-8-30-17(10-16)5-7-27-30)29-13-20(24(33)34)19(11-22(29)31)18-9-15(25)4-3-14(18)12-26/h3-11,13,21H,2H2,1H3,(H,28,32)(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

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