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Patent code US10421742

Compile Data Set for Download or QSAR

Found 516 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM413725
PNG
(N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(1H-tetr...)
Show SMILES CCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)/t23-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413625
PNG
(2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...)
Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H25ClN8O4/c1-33-13-16-10-18(5-6-21(16)30-33)29-26(37)23(8-9-38-2)34-14-24(39-3)20(12-25(34)36)19-11-17(27)4-7-22(19)35-15-28-31-32-35/h4-7,10-15,23H,8-9H2,1-3H3,(H,29,37)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413721
PNG
(4-{[(2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl...)
Show SMILES CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)/t21-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413626
PNG
(4-[(2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H23ClFN7O5/c1-38-8-7-21(25(37)30-15-4-5-16(24(28)36)19(27)10-15)33-12-22(39-2)18(11-23(33)35)17-9-14(26)3-6-20(17)34-13-29-31-32-34/h3-6,9-13,21H,7-8H2,1-2H3,(H2,28,36)(H,30,37)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413727
PNG
((2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-...)
Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)/t23-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413745
PNG
(4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H25ClN6O5/c1-3-4-5-22(25(35)29-18-9-6-16(7-10-18)26(36)37)32-14-23(38-2)20(13-24(32)34)19-12-17(27)8-11-21(19)33-15-28-30-31-33/h6-15,22H,3-5H2,1-2H3,(H,29,35)(H,36,37)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413654
PNG
(4-[(2-{4-[5-Chloro-2-(1,2-oxazol-3-yl)phenyl]-5-me...)
Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-c1ccon1
Show InChI InChI=1S/C30H28ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-11,13-14,16-17,21,26H,2-4,12,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413719
PNG
(4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H23ClN6O5/c1-3-4-21(24(34)28-17-8-5-15(6-9-17)25(35)36)31-13-22(37-2)19(12-23(31)33)18-11-16(26)7-10-20(18)32-14-27-29-30-32/h5-14,21H,3-4H2,1-2H3,(H,28,34)(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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413610
PNG
(4-{[(2S)-2-{4-[5-Chloro-2-(1,3-oxazol-5-yl)phenyl]...)
Show SMILES COCC[C@@H](C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-c1cnco1
Show InChI InChI=1S/C27H24ClN3O7/c1-36-10-9-22(26(33)30-18-6-3-16(4-7-18)27(34)35)31-14-24(37-2)21(12-25(31)32)20-11-17(28)5-8-19(20)23-13-29-15-38-23/h3-8,11-15,22H,9-10H2,1-2H3,(H,30,33)(H,34,35)/t22-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413722
PNG
(5-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C24H23ClN8O4/c1-3-4-20(24(36)29-15-6-7-18(23(26)35)27-11-15)32-12-21(37-2)17(10-22(32)34)16-9-14(25)5-8-19(16)33-13-28-30-31-33/h5-13,20H,3-4H2,1-2H3,(H2,26,35)(H,29,36)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413726
PNG
(2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...)
Show SMILES CCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413652
PNG
(4-{[(2S)-4-tert-Butoxy-2-{4-[5-chloro-2-(1,2-oxazo...)
Show SMILES COc1cn([C@@H](CCOC(C)(C)C)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-c1ccon1
Show InChI InChI=1S/C30H30ClN3O7/c1-30(2,3)40-13-12-25(28(36)32-20-8-5-18(6-9-20)29(37)38)34-17-26(39-4)23(16-27(34)35)22-15-19(31)7-10-21(22)24-11-14-41-33-24/h5-11,14-17,25H,12-13H2,1-4H3,(H,32,36)(H,37,38)/t25-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413777
PNG
(N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(4-chlor...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C26H21Cl2N7O3/c1-3-21(26(37)31-16-5-6-19-20(11-16)30-9-8-29-19)34-13-23(38-2)18(12-25(34)36)17-10-15(27)4-7-22(17)35-14-24(28)32-33-35/h4-14,21H,3H2,1-2H3,(H,31,37)/t21-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413720
PNG
(4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H23ClFN7O4/c1-3-4-21(25(37)30-15-6-7-16(24(28)36)19(27)10-15)33-12-22(38-2)18(11-23(33)35)17-9-14(26)5-8-20(17)34-13-29-31-32-34/h5-13,21H,3-4H2,1-2H3,(H2,28,36)(H,30,37)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413724
PNG
(N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(1H-tetrazol-...)
Show SMILES CCCC(C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM413725
PNG
(N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(1H-tetr...)
Show SMILES CCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H23ClN8O3/c1-3-4-23(26(37)31-17-6-7-20-21(12-17)29-10-9-28-20)34-14-24(38-2)19(13-25(34)36)18-11-16(27)5-8-22(18)35-15-30-32-33-35/h5-15,23H,3-4H2,1-2H3,(H,31,37)/t23-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413746
PNG
(2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...)
Show SMILES CCCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H27ClN8O3/c1-4-5-6-24(27(38)30-19-8-9-22-17(11-19)14-34(2)31-22)35-15-25(39-3)21(13-26(35)37)20-12-18(28)7-10-23(20)36-16-29-32-33-36/h7-16,24H,4-6H2,1-3H3,(H,30,38)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413773
PNG
(4-({2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3-...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F
Show InChI InChI=1S/C26H22ClF2N5O5/c1-3-20(25(36)30-16-7-4-14(5-8-16)26(37)38)33-13-22(39-2)18(11-23(33)35)17-10-15(27)6-9-21(17)34-12-19(24(28)29)31-32-34/h4-13,20,24H,3H2,1-2H3,(H,30,36)(H,37,38)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413847
PNG
(4-{[(2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triaz...)
Show SMILES COc1cn([C@@H](C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C24H19Cl2FN6O4/c1-12(24(36)29-14-4-5-15(23(28)35)18(27)8-14)32-10-20(37-2)17(9-22(32)34)16-7-13(25)3-6-19(16)33-11-21(26)30-31-33/h3-12H,1-2H3,(H2,28,35)(H,29,36)/t12-/m0/s1
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n/an/a 0.640n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413793
PNG
(2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...)
Show SMILES COc1cn(C(C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C25H21Cl2N7O3/c1-14(25(36)28-17-5-6-20-15(8-17)11-32(2)30-20)33-12-22(37-3)19(10-24(33)35)18-9-16(26)4-7-21(18)34-13-23(27)29-31-34/h4-14H,1-3H3,(H,28,36)
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n/an/a 0.650n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413851
PNG
((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nc(C)ccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C28H24Cl2N6O3/c1-4-23(28(38)32-19-8-9-22-17(11-19)6-5-16(2)31-22)35-14-25(39-3)21(13-27(35)37)20-12-18(29)7-10-24(20)36-15-26(30)33-34-36/h5-15,23H,4H2,1-3H3,(H,32,38)/t23-/m0/s1
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n/an/a 0.650n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413797
PNG
(4-[({4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-met...)
Show SMILES COc1cn(CC(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C22H17ClN6O5/c1-34-19-10-28(11-20(30)25-15-5-2-13(3-6-15)22(32)33)21(31)9-17(19)16-8-14(23)4-7-18(16)29-12-24-26-27-29/h2-10,12H,11H2,1H3,(H,25,30)(H,32,33)
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n/an/a 0.650n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413723
PNG
(5-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCC(C(=O)Nc1ccc(nc1)C(=O)NC)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H25ClN8O4/c1-4-5-21(25(37)30-16-7-8-19(28-12-16)24(36)27-2)33-13-22(38-3)18(11-23(33)35)17-10-15(26)6-9-20(17)34-14-29-31-32-34/h6-14,21H,4-5H2,1-3H3,(H,27,36)(H,30,37)
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n/an/a 0.660n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413633
PNG
(4-[(2-{4-[5-Chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]...)
Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-c1nnco1
Show InChI InChI=1S/C26H23ClN4O7/c1-36-10-9-21(24(33)29-17-6-3-15(4-7-17)26(34)35)31-13-22(37-2)20(12-23(31)32)19-11-16(27)5-8-18(19)25-30-28-14-38-25/h3-8,11-14,21H,9-10H2,1-2H3,(H,29,33)(H,34,35)
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n/an/a 0.700n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413770
PNG
(N-(Quinoxalin-6-yl)-(2S)-2-[4-{5-chloro-2-[4-(difl...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F
Show InChI InChI=1S/C27H22ClF2N7O3/c1-3-22(27(39)33-16-5-6-19-20(11-16)32-9-8-31-19)36-14-24(40-2)18(12-25(36)38)17-10-15(28)4-7-23(17)37-13-21(26(29)30)34-35-37/h4-14,22,26H,3H2,1-2H3,(H,33,39)/t22-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413749
PNG
(4-({2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3-...)
Show SMILES CCCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F
Show InChI InChI=1S/C28H26ClF2N5O5/c1-3-4-5-23(27(38)32-18-9-6-16(7-10-18)28(39)40)35-15-24(41-2)20(13-25(35)37)19-12-17(29)8-11-22(19)36-14-21(26(30)31)33-34-36/h6-15,23,26H,3-5H2,1-2H3,(H,32,38)(H,39,40)
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n/an/a 0.710n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413748
PNG
(5-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCCC(C(=O)Nc1ccc(nc1)C(=O)NC)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H27ClN8O4/c1-4-5-6-22(26(38)31-17-8-9-20(29-13-17)25(37)28-2)34-14-23(39-3)19(12-24(34)36)18-11-16(27)7-10-21(18)35-15-30-32-33-35/h7-15,22H,4-6H2,1-3H3,(H,28,37)(H,31,38)
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n/an/a 0.710n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413743
PNG
(5-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H25ClN8O4/c1-3-4-5-21(25(37)30-16-7-8-19(24(27)36)28-12-16)33-13-22(38-2)18(11-23(33)35)17-10-15(26)6-9-20(17)34-14-29-31-32-34/h6-14,21H,3-5H2,1-2H3,(H2,27,36)(H,30,37)
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n/an/a 0.720n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413796
PNG
(N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(1H-tetrazol-...)
Show SMILES COc1cn(CC(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C23H17ClN8O3/c1-35-21-11-31(12-22(33)28-15-3-4-18-19(9-15)26-7-6-25-18)23(34)10-17(21)16-8-14(24)2-5-20(16)32-13-27-29-30-32/h2-11,13H,12H2,1H3,(H,28,33)
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n/an/a 0.730n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413858
PNG
(4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-...)
Show SMILES COc1cn([C@@H](C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)/t12-/m0/s1
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n/an/a 0.740n/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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413792
PNG
(N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(4-chloro-1H-...)
Show SMILES COc1cn(C(C)C(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C25H19Cl2N7O3/c1-14(25(36)30-16-4-5-19-20(10-16)29-8-7-28-19)33-12-22(37-2)18(11-24(33)35)17-9-15(26)3-6-21(17)34-13-23(27)31-32-34/h3-14H,1-2H3,(H,30,36)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413747
PNG
(N-(Quinoxalin-6-yl)-2-{4-[5-chloro-2-(1H-tetrazol-...)
Show SMILES CCCCC(C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H25ClN8O3/c1-3-4-5-24(27(38)32-18-7-8-21-22(13-18)30-11-10-29-21)35-15-25(39-2)20(14-26(35)37)19-12-17(28)6-9-23(19)36-16-31-33-34-36/h6-16,24H,3-5H2,1-2H3,(H,32,38)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413775
PNG
((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C26H23Cl2N7O3/c1-4-21(26(37)29-17-6-7-20-15(9-17)12-33(2)31-20)34-13-23(38-3)19(11-25(34)36)18-10-16(27)5-8-22(18)35-14-24(28)30-32-35/h5-14,21H,4H2,1-3H3,(H,29,37)/t21-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413817
PNG
((2S)-2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(cc2c1)C(F)F)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F
Show InChI InChI=1S/C27H22ClF4N7O3/c1-3-21(26(41)33-16-5-6-19-14(8-16)11-39(35-19)27(31)32)37-13-23(42-2)18(10-24(37)40)17-9-15(28)4-7-22(17)38-12-20(25(29)30)34-36-38/h4-13,21,25,27H,3H2,1-2H3,(H,33,41)/t21-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM413727
PNG
((2S)-2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-...)
Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H25ClN8O3/c1-4-5-23(26(37)29-18-7-8-21-16(10-18)13-33(2)30-21)34-14-24(38-3)20(12-25(34)36)19-11-17(27)6-9-22(19)35-15-28-31-32-35/h6-15,23H,4-5H2,1-3H3,(H,29,37)/t23-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413840
PNG
((2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C27H23ClF3N7O3/c1-4-21(26(40)32-17-6-7-20-15(9-17)12-36(2)34-20)37-13-23(41-3)19(11-25(37)39)18-10-16(28)5-8-22(18)38-14-24(33-35-38)27(29,30)31/h5-14,21H,4H2,1-3H3,(H,32,40)/t21-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413861
PNG
(2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...)
Show SMILES CCC(C(=O)Nc1ccc2nn(CCO)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C27H25Cl2N7O4/c1-3-22(27(39)30-18-5-6-21-16(10-18)13-34(32-21)8-9-37)35-14-24(40-2)20(12-26(35)38)19-11-17(28)4-7-23(19)36-15-25(29)31-33-36/h4-7,10-15,22,37H,3,8-9H2,1-2H3,(H,30,39)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413779
PNG
(2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-metho...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H23ClN8O3/c1-4-21(25(36)28-17-6-7-20-15(9-17)12-32(2)29-20)33-13-23(37-3)19(11-24(33)35)18-10-16(26)5-8-22(18)34-14-27-30-31-34/h5-14,21H,4H2,1-3H3,(H,28,36)/t21-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413641
PNG
(4-[(2-{4-[5-Chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)...)
Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C1=NOCC1
Show InChI InChI=1S/C30H30ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-10,14,16-17,21,26H,2-4,11-13,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413737
PNG
((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...)
Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C27H25Cl2N7O3/c1-4-5-23(27(38)30-18-7-8-21-16(10-18)13-34(2)32-21)35-14-24(39-3)20(12-26(35)37)19-11-17(28)6-9-22(19)36-15-25(29)31-33-36/h6-15,23H,4-5H2,1-3H3,(H,30,38)/t23-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413744
PNG
(4-{[2-{4-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]-5-m...)
Show SMILES CCCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H25ClFN7O4/c1-3-4-5-22(26(38)31-16-7-8-17(25(29)37)20(28)11-16)34-13-23(39-2)19(12-24(34)36)18-10-15(27)6-9-21(18)35-14-30-32-33-35/h6-14,22H,3-5H2,1-2H3,(H2,29,37)(H,31,38)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413864
PNG
((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...)
Show SMILES COc1cn([C@@H](CC(F)F)C(=O)Nc2ccc3nccnc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C26H19Cl2F2N7O3/c1-40-22-12-36(21(11-24(29)30)26(39)33-15-3-4-18-19(9-15)32-7-6-31-18)25(38)10-17(22)16-8-14(27)2-5-20(16)37-13-23(28)34-35-37/h2-10,12-13,21,24H,11H2,1H3,(H,33,39)/t21-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413772
PNG
((2S)-2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F
Show InChI InChI=1S/C27H24ClF2N7O3/c1-4-22(27(39)31-17-6-7-20-15(9-17)12-35(2)33-20)36-14-24(40-3)19(11-25(36)38)18-10-16(28)5-8-23(18)37-13-21(26(29)30)32-34-37/h5-14,22,26H,4H2,1-3H3,(H,31,39)/t22-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413850
PNG
((2S)-2-[4-{5-Chloro-2-[4-(difluoromethyl)-1H-1,2,3...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nc(C)ccc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)F
Show InChI InChI=1S/C29H25ClF2N6O3/c1-4-24(29(40)34-19-8-9-22-17(11-19)6-5-16(2)33-22)37-15-26(41-3)21(13-27(37)39)20-12-18(30)7-10-25(20)38-14-23(28(31)32)35-36-38/h5-15,24,28H,4H2,1-3H3,(H,34,40)/t24-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413846
PNG
(4-({2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3...)
Show SMILES COc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413844
PNG
((2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,...)
Show SMILES CC[C@@H](C(=O)Nc1ccc2nc(C)c(C)nc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N7O3/c1-5-23(28(42)36-18-7-8-21-22(11-18)35-16(3)15(2)34-21)39-13-25(43-4)20(12-27(39)41)19-10-17(30)6-9-24(19)40-14-26(37-38-40)29(31,32)33/h6-14,23H,5H2,1-4H3,(H,36,42)/t23-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413849
PNG
(4-{[(2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triaz...)
Show SMILES CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C25H21Cl2FN6O4/c1-3-19(25(37)30-14-5-6-15(24(29)36)18(28)9-14)33-11-21(38-2)17(10-23(33)35)16-8-13(26)4-7-20(16)34-12-22(27)31-32-34/h4-12,19H,3H2,1-2H3,(H2,29,36)(H,30,37)/t19-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413842
PNG
(4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-...)
Show SMILES CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413696
PNG
(4-[(2-{4-[5-Chloro-2-(3-methyl-1,2,4-oxadiazol-5-y...)
Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-c1nc(C)no1
Show InChI InChI=1S/C27H25ClN4O7/c1-15-29-26(39-31-15)19-9-6-17(28)12-20(19)21-13-24(33)32(14-23(21)38-3)22(10-11-37-2)25(34)30-18-7-4-16(5-8-18)27(35)36/h4-9,12-14,22H,10-11H2,1-3H3,(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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM413706
PNG
(2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...)
Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C27H25Cl2N7O4/c1-34-13-16-10-18(5-6-21(16)32-34)30-27(38)23(8-9-39-2)35-14-24(40-3)20(12-26(35)37)19-11-17(28)4-7-22(19)36-15-25(29)31-33-36/h4-7,10-15,23H,8-9H2,1-3H3,(H,30,38)
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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 US10421742 (2019)


BindingDB Entry DOI: 10.7270/Q26M3967
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%