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Compile Data Set for Download or QSAR

Found 2760 hits with Last Name = 'röhrig' and Initial = 's'   
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
Prothrombin


(Homo sapiens (Human))		BDBM254888
PNG
(US9493472, 11)
Show SMILES COc1cc(cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r|
Show InChI InChI=1S/C25H29ClFN3O5/c1-15-13-34-25(2,7-8-31)14-30(15)23(32)17-10-19-22(21(11-17)33-3)35-24(28-19)29-20(12-27)16-5-4-6-18(26)9-16/h4-6,9-11,15,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t15-,20+,25?/m1/s1
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n/an/a 0.0100n/an/an/an/a7.422



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM254889
PNG
(US9493472, 12)
Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CC(C)O)OC[C@H]1C |r|
Show InChI InChI=1S/C26H31ClFN3O5/c1-15-13-35-26(3,11-16(2)32)14-31(15)24(33)18-9-20-23(22(10-18)34-4)36-25(29-20)30-21(12-28)17-6-5-7-19(27)8-17/h5-10,15-16,21,32H,11-14H2,1-4H3,(H,29,30)/t15-,16?,21?,26?/m1/s1
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n/an/a 0.100n/an/an/an/a7.422



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM254905
PNG
(US9493472, 27)
Show SMILES CCO[C@@H]1CC(CO)N(C1)C(=O)c1cc(OC)c2oc(N[C@H](CF)c3cccc(Cl)c3)nc2c1 |r|
Show InChI InChI=1S/C24H27ClFN3O5/c1-3-33-18-10-17(13-30)29(12-18)23(31)15-8-19-22(21(9-15)32-2)34-24(27-19)28-20(11-26)14-5-4-6-16(25)7-14/h4-9,17-18,20,30H,3,10-13H2,1-2H3,(H,27,28)/t17?,18-,20-/m1/s1
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n/an/a 0.160n/an/an/an/a7.422



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM254904
PNG
(US9493472, 26)
Show SMILES CCO[C@@H]1CC(CO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r|
Show InChI InChI=1S/C24H27ClFN3O5/c1-3-33-18-10-17(13-30)29(12-18)23(31)15-8-19-22(21(9-15)32-2)34-24(27-19)28-20(11-26)14-5-4-6-16(25)7-14/h4-9,17-18,20,30H,3,10-13H2,1-2H3,(H,27,28)/t17?,18-,20?/m1/s1
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n/an/a 0.190n/an/an/an/a7.422



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM254886
PNG
(US9493472, 9)
Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r|
Show InChI InChI=1S/C25H29ClFN3O5/c1-15-13-34-25(2,7-8-31)14-30(15)23(32)17-10-19-22(21(11-17)33-3)35-24(28-19)29-20(12-27)16-5-4-6-18(26)9-16/h4-6,9-11,15,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t15-,20?,25?/m1/s1
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n/an/a 0.200n/an/an/an/a7.422



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
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))		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 |r|
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))		BDBM246227
PNG
(US10183932, Example 135 | US9434690, 132 | US94346...)
Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |(-6.67,,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;5.33,5.39,;2.67,5.39,;1.33,4.62,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,-1.54,;,-2.31,;-2.67,-2.31,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,)|
Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(H,37,38)
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n/an/a 0.300n/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 US9822102 (2017)


BindingDB Entry DOI: 10.7270/Q2FN18G5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246227
PNG
(US10183932, Example 135 | US9434690, 132 | US94346...)
Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |(-6.67,,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;5.33,5.39,;2.67,5.39,;1.33,4.62,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,-1.54,;,-2.31,;-2.67,-2.31,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,)|
Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(H,37,38)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...

US Patent US10183932 (2019)


BindingDB Entry DOI: 10.7270/Q23T9K99
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM254896
PNG
(US9493472, 18)
Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@H]1C1CC(O)C1 |r,wU:26.29,wD:30.34,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)|
Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14-,16?,19?,21?,22-/m0/s1
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n/an/a 0.300n/an/an/an/a7.422



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246227
PNG
(US10183932, Example 135 | US9434690, 132 | US94346...)
Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N |(-6.67,,;-5.33,.77,;-4,,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;5.33,5.39,;2.67,5.39,;1.33,4.62,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;8,-2.31,;9.34,-1.54,;8,-3.85,;-1.33,-1.54,;,-2.31,;-2.67,-2.31,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-8,-3.85,;-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-5.39,)|
Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(H,37,38)
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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 US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
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 |r|
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))		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 |r|
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))		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))		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))		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 |r|
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
Prothrombin


(Homo sapiens (Human))		BDBM254895
PNG
(US9493472, 17)
Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1C1CC(O)C1 |r,wU:30.34,26.29,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)|
Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14-,16?,19?,21?,22+/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM254911
PNG
(US9493472, 33)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC2(CC2)NC(=O)C1C |r|
Show InChI InChI=1S/C24H24ClFN4O4/c1-13-21(31)29-24(6-7-24)12-30(13)22(32)15-9-17-20(19(10-15)33-2)34-23(27-17)28-18(11-26)14-4-3-5-16(25)8-14/h3-5,8-10,13,18H,6-7,11-12H2,1-2H3,(H,27,28)(H,29,31)/t13?,18-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
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 |r|
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
Prothrombin


(Homo sapiens (Human))		BDBM254894
PNG
(US9493472, 16)
Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)|
Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM276779
PNG
(5-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(s2)C(N)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C25H21ClN6O4S/c1-31-8-7-16(30-31)10-19(25(35)29-22-6-5-21(37-22)24(28)34)32-13-20(36-2)18(11-23(32)33)17-9-15(26)4-3-14(17)12-27/h3-9,11,13,19H,10H2,1-2H3,(H2,28,34)(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 US10071995 (2018)


BindingDB Entry DOI: 10.7270/Q2H13429
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246196
PNG
(US10183932, Example 105 | US9434690, 101 | US94346...)
Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(H,31,34)(H,35,36)
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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 US9822102 (2017)


BindingDB Entry DOI: 10.7270/Q2FN18G5
More data for this
Ligand-Target Pair
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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q25D8TZT
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))		BDBM246196
PNG
(US10183932, Example 105 | US9434690, 101 | US94346...)
Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(H,31,34)(H,35,36)
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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 US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246196
PNG
(US10183932, Example 105 | US9434690, 101 | US94346...)
Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(H,31,34)(H,35,36)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...

US Patent US10183932 (2019)


BindingDB Entry DOI: 10.7270/Q23T9K99
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 |r|
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
Prothrombin


(Homo sapiens (Human))		BDBM254907
PNG
(US9493472, 29 | US9493472, 30 | US9493472, 31)
Show SMILES CCO[C@@H]1CC(CCO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r|
Show InChI InChI=1S/C25H29ClFN3O5/c1-3-34-19-12-18(7-8-31)30(14-19)24(32)16-10-20-23(22(11-16)33-2)35-25(28-20)29-21(13-27)15-5-4-6-17(26)9-15/h4-6,9-11,18-19,21,31H,3,7-8,12-14H2,1-2H3,(H,28,29)/t18?,19-,21?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
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))		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 |r|
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))		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 |r|
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))		BDBM246220
PNG
(US10183932, Example 144 | US9434690, 125 | US94346...)
Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC
Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(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 US9822102 (2017)


BindingDB Entry DOI: 10.7270/Q2FN18G5
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246220
PNG
(US10183932, Example 144 | US9434690, 125 | US94346...)
Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC
Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(H,34,35)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...

US Patent US10183932 (2019)


BindingDB Entry DOI: 10.7270/Q23T9K99
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246220
PNG
(US10183932, Example 144 | US9434690, 125 | US94346...)
Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC
Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(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 US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
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 |r|
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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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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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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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 |r|
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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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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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 |r|
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))		BDBM246174
PNG
(US10183932, Example 81 | US9434690, 79 | US9434690...)
Show SMILES CO[C@@H](C)CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N |r|
Show InChI InChI=1S/C26H24ClN3O6/c1-15(35-2)10-22(25(32)29-19-8-5-16(6-9-19)26(33)34)30-14-23(36-3)21(12-24(30)31)20-11-18(27)7-4-17(20)13-28/h4-9,11-12,14-15,22H,10H2,1-3H3,(H,29,32)(H,33,34)/t15-,22?/m0/s1
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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 US9822102 (2017)


BindingDB Entry DOI: 10.7270/Q2FN18G5
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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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 X


(Homo sapiens (Human))		BDBM130530
PNG
(US8822458, 127)
Show SMILES Fc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Br)s2)OC1=O |r|
Show InChI InChI=1S/C19H17BrFN3O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10H2,(H,22,26)/t12-/m0/s1
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US Patent
n/an/a 0.700n/an/an/an/an/a25



Bayer Intellectual Property GmbH

US Patent


Assay Description
The enzymatic activity of human factor Xa (FXa) was measured using the conversion of a chromogenic substrate specific for FXa. Factor Xa cleaves p-ni...

US Patent US8822458 (2014)


BindingDB Entry DOI: 10.7270/Q2VH5MJ2
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246174
PNG
(US10183932, Example 81 | US9434690, 79 | US9434690...)
Show SMILES CO[C@@H](C)CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N |r|
Show InChI InChI=1S/C26H24ClN3O6/c1-15(35-2)10-22(25(32)29-19-8-5-16(6-9-19)26(33)34)30-14-23(36-3)21(12-24(30)31)20-11-18(27)7-4-17(20)13-28/h4-9,11-12,14-15,22H,10H2,1-3H3,(H,29,32)(H,33,34)/t15-,22?/m0/s1
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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 US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM246174
PNG
(US10183932, Example 81 | US9434690, 79 | US9434690...)
Show SMILES CO[C@@H](C)CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N |r|
Show InChI InChI=1S/C26H24ClN3O6/c1-15(35-2)10-22(25(32)29-19-8-5-16(6-9-19)26(33)34)30-14-23(36-3)21(12-24(30)31)20-11-18(27)7-4-17(20)13-28/h4-9,11-12,14-15,22H,10H2,1-3H3,(H,29,32)(H,33,34)/t15-,22?/m0/s1
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...

US Patent US10183932 (2019)


BindingDB Entry DOI: 10.7270/Q23T9K99
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Ligand-Target Pair
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