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USPatent US10138236

Compile data set for download or QSAR
Found 66 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))		BDBM303815
PNG
(4-({2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,...)
Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H25ClFN3O6/c1-38-9-8-23(26(35)30-18-6-3-15(4-7-18)27(36)37)32-14-22-21(12-24(32)33)20-11-17(28)5-2-16(20)10-19(13-29)31-25(22)34/h2-7,11-12,14,19,23H,8-10,13H2,1H3,(H,30,35)(H,31,34)(H,36,37)
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n/an/a 1.20n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303810
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES OC(=O)c1ccc(NC(=O)C(Cc2ccccc2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
Show InChI InChI=1S/C32H26ClN3O5/c33-22-9-6-21-17-32(12-13-32)35-29(38)26-18-36(28(37)16-25(26)24(21)15-22)27(14-19-4-2-1-3-5-19)30(39)34-23-10-7-20(8-11-23)31(40)41/h1-11,15-16,18,27H,12-14,17H2,(H,34,39)(H,35,38)(H,40,41)
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n/an/a 1.80n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303794
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN3O6/c1-38-11-8-23(26(35)30-19-6-3-16(4-7-19)27(36)37)32-15-22-21(13-24(32)33)20-12-18(29)5-2-17(20)14-28(9-10-28)31-25(22)34/h2-7,12-13,15,23H,8-11,14H2,1H3,(H,30,35)(H,31,34)(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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303807
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.38,5.01,;5.05,5.78,;3.71,5,;3.71,3.46,;2.38,2.7,;1.05,3.46,;-.29,2.69,;-.29,1.15,;1.05,.38,;1.05,-1.16,;2.38,1.15,;3.71,.38,;5.05,1.15,;6.38,.38,;6.38,-1.16,;5.05,-1.93,;3.71,-1.16,;7.71,-1.92,;9.05,-1.15,;7.71,-3.46,;-1.62,.38,;-2.95,1.15,;-4.29,.38,;-4.29,-1.16,;-2.95,-1.93,;-1.62,-1.16,;-.29,-1.93,;-5.62,-1.93,;-5.62,-3.47,;-6.96,-4.24,;-6.96,-5.78,;-8.29,-3.47,;-8.29,-1.93,;-6.96,-1.16,;-7.91,.01,;-7.51,1.5,;-9.05,1.5,;-8.28,2.83,;-6.17,2.27,;-4.69,1.87,;-3.6,2.96,;1.05,5,;2.38,5.77,)|
Show InChI InChI=1S/C33H34ClN3O6/c1-43-24-10-2-19(3-11-24)14-28(31(40)35-23-8-5-20(6-9-23)32(41)42)37-18-27-26(16-29(37)38)25-15-22(34)7-4-21(25)17-33(12-13-33)36-30(27)39/h4-9,15-16,18-19,24,28H,2-3,10-14,17H2,1H3,(H,35,40)(H,36,39)(H,41,42)/t19-,24-,28?
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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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303813
PNG
(2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,8-te...)
Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H27ClFN5O4/c1-34-14-17-10-19(5-6-24(17)33-34)31-28(38)25(7-8-39-2)35-15-23-22(12-26(35)36)21-11-18(29)4-3-16(21)9-20(13-30)32-27(23)37/h3-6,10-12,14-15,20,25H,7-9,13H2,1-2H3,(H,31,38)(H,32,37)
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n/an/a 2.80n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303804
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(s1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H24ClN3O6S/c1-36-9-6-19(24(33)28-21-5-4-20(37-21)25(34)35)30-13-18-17(11-22(30)31)16-10-15(27)3-2-14(16)12-26(7-8-26)29-23(18)32/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,28,33)(H,29,32)(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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303812
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES Cn1cc2cc(NC(=O)C(Cc3ccccc3)n3cc4c(cc3=O)-c3cc(Cl)ccc3CC3(CC3)NC4=O)ccc2n1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;$|
Show InChI InChI=1S/C33H28ClN5O3/c1-38-18-22-14-24(9-10-28(22)37-38)35-32(42)29(13-20-5-3-2-4-6-20)39-19-27-26(16-30(39)40)25-15-23(34)8-7-21(25)17-33(11-12-33)36-31(27)41/h2-10,14-16,18-19,29H,11-13,17H2,1H3,(H,35,42)(H,36,41)
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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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303811
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES Clc1ccc2CC3(CC3)NC(=O)c3cn(C(Cc4ccccc4)C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)c(=O)cc3-c2c1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;$|
Show InChI InChI=1S/C32H26ClN5O4/c33-20-7-6-19-16-32(10-11-32)37-29(40)24-17-38(28(39)15-23(24)22(19)13-20)27(12-18-4-2-1-3-5-18)30(41)34-21-8-9-25-26(14-21)36-31(42)35-25/h1-9,13-15,17,27H,10-12,16H2,(H,34,41)(H,37,40)(H2,35,36,42)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303814
PNG
(4-({2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,...)
Show SMILES COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H25ClF2N4O5/c1-39-7-6-23(27(38)32-16-4-5-18(25(31)36)22(30)10-16)34-13-21-20(11-24(34)35)19-9-15(28)3-2-14(19)8-17(12-29)33-26(21)37/h2-5,9-11,13,17,23H,6-8,12H2,1H3,(H2,31,36)(H,32,38)(H,33,37)
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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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303792
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H24ClN3O5/c1-2-22(25(34)29-18-7-4-15(5-8-18)26(35)36)31-14-21-20(12-23(31)32)19-11-17(28)6-3-16(19)13-27(9-10-27)30-24(21)33/h3-8,11-12,14,22H,2,9-10,13H2,1H3,(H,29,34)(H,30,33)(H,35,36)
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n/an/a 7.70n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303797
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C29H28ClN5O4/c1-34-15-18-11-20(5-6-24(18)33-34)31-28(38)25(7-10-39-2)35-16-23-22(13-26(35)36)21-12-19(30)4-3-17(21)14-29(8-9-29)32-27(23)37/h3-6,11-13,15-16,25H,7-10,14H2,1-2H3,(H,31,38)(H,32,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303801
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C29H28ClN5O5/c1-34-28(39)19-6-5-18(12-23(19)33-34)31-27(38)24(7-10-40-2)35-15-22-21(13-25(35)36)20-11-17(30)4-3-16(20)14-29(8-9-29)32-26(22)37/h3-6,11-13,15,24,33H,7-10,14H2,1-2H3,(H,31,38)(H,32,37)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303798
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O4/c1-38-11-6-24(27(37)31-19-5-10-34-20(13-19)4-9-30-34)33-16-23-22(14-25(33)35)21-12-18(29)3-2-17(21)15-28(7-8-28)32-26(23)36/h2-5,9-10,12-14,16,24H,6-8,11,15H2,1H3,(H,31,37)(H,32,36)
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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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303793
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H24ClN5O5/c1-2-22(26(37)30-18-7-4-15(5-8-18)24-31-27(38)39-33-24)34-14-21-20(12-23(34)35)19-11-17(29)6-3-16(19)13-28(9-10-28)32-25(21)36/h3-8,11-12,14,22H,2,9-10,13H2,1H3,(H,30,37)(H,32,36)(H,31,33,38)
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n/an/a 16n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303796
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O5/c1-39-9-6-23(26(37)30-17-4-5-21-22(11-17)32-27(38)31-21)34-14-20-19(12-24(34)35)18-10-16(29)3-2-15(18)13-28(7-8-28)33-25(20)36/h2-5,10-12,14,23H,6-9,13H2,1H3,(H,30,37)(H,33,36)(H2,31,32,38)
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n/an/a 18n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303809
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.03,5.01,;4.69,5.78,;3.36,5,;3.36,3.46,;2.03,2.7,;.69,3.46,;-.64,2.69,;-.64,1.15,;.69,.38,;.69,-1.16,;2.03,1.15,;3.36,.38,;3.36,-1.16,;4.69,-1.93,;6.03,-1.16,;7.49,-1.63,;8.4,-.39,;9.94,-.39,;7.49,.86,;6.03,.38,;4.69,1.15,;-1.97,.38,;-3.31,1.15,;-4.64,.38,;-4.64,-1.16,;-3.31,-1.93,;-1.97,-1.16,;-.64,-1.93,;-5.98,-1.93,;-5.98,-3.47,;-7.31,-4.24,;-7.31,-5.78,;-8.64,-3.47,;-8.64,-1.93,;-7.31,-1.16,;-8.4,-.07,;-8.4,1.47,;-9.94,1.47,;-9.17,2.81,;-7.06,2.24,;-5.04,1.87,;-4.27,3.21,;.69,5,;2.03,5.77,)|
Show InChI InChI=1S/C33H34ClN5O5/c1-44-22-7-2-18(3-8-22)12-28(31(42)35-21-6-9-26-27(14-21)37-32(43)36-26)39-17-25-24(15-29(39)40)23-13-20(34)5-4-19(23)16-33(10-11-33)38-30(25)41/h4-6,9,13-15,17-18,22,28H,2-3,7-8,10-12,16H2,1H3,(H,35,42)(H,38,41)(H2,36,37,43)/t18-,22-,28?
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n/an/a 18n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303800
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2[nH]ncc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
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n/an/a 21n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303795
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClFN4O5/c1-39-9-6-23(27(38)32-17-4-5-18(25(31)36)22(30)11-17)34-14-21-20(12-24(34)35)19-10-16(29)3-2-15(19)13-28(7-8-28)33-26(21)37/h2-5,10-12,14,23H,6-9,13H2,1H3,(H2,31,36)(H,32,38)(H,33,37)
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n/an/a 27n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303788
PNG
(4-{[2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H22ClN3O5/c1-2-21(24(32)28-17-7-4-15(5-8-17)25(33)34)29-13-20-19(12-22(29)30)18-11-16(26)6-3-14(18)9-10-27-23(20)31/h3-8,11-13,21H,2,9-10H2,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 28n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303808
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(C(N)=O)c(F)c2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.38,5.01,;5.05,5.78,;3.71,5,;3.71,3.46,;2.38,2.7,;1.05,3.46,;-.29,2.69,;-.29,1.15,;1.05,.38,;1.05,-1.16,;2.38,1.15,;3.71,.38,;3.71,-1.16,;5.05,-1.93,;6.38,-1.16,;7.71,-1.92,;9.05,-1.15,;7.71,-3.46,;6.38,.38,;7.71,1.15,;5.05,1.15,;-1.62,.38,;-2.95,1.15,;-4.29,.38,;-4.29,-1.16,;-2.95,-1.93,;-1.62,-1.16,;-.29,-1.93,;-5.62,-1.93,;-5.62,-3.47,;-6.96,-4.24,;-6.96,-5.78,;-8.29,-3.47,;-8.29,-1.93,;-6.96,-1.16,;-7.91,.01,;-7.51,1.5,;-9.05,1.5,;-8.28,2.83,;-6.17,2.27,;-4.69,1.87,;-3.6,2.96,;1.05,5,;2.38,5.77,)|
Show InChI InChI=1S/C33H34ClFN4O5/c1-44-22-7-2-18(3-8-22)12-28(32(43)37-21-6-9-23(30(36)41)27(35)14-21)39-17-26-25(15-29(39)40)24-13-20(34)5-4-19(24)16-33(10-11-33)38-31(26)42/h4-6,9,13-15,17-18,22,28H,2-3,7-8,10-12,16H2,1H3,(H2,36,41)(H,37,43)(H,38,42)/t18-,22-,28?
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n/an/a 34n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303803
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H26ClN5O5/c1-38-9-6-22(26(37)31-17-4-5-21(24(29)35)30-13-17)33-14-20-19(11-23(33)34)18-10-16(28)3-2-15(18)12-27(7-8-27)32-25(20)36/h2-5,10-11,13-14,22H,6-9,12H2,1H3,(H2,29,35)(H,31,37)(H,32,36)
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n/an/a 34n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303806
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1csc(c1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H24ClN3O6S/c1-36-7-4-20(24(33)28-16-9-21(25(34)35)37-13-16)30-12-19-18(10-22(30)31)17-8-15(27)3-2-14(17)11-26(5-6-26)29-23(19)32/h2-3,8-10,12-13,20H,4-7,11H2,1H3,(H,28,33)(H,29,32)(H,34,35)
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n/an/a 35n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303790
PNG
(4-{[2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrid...)
Show SMILES CC(C)CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H26ClN3O5/c1-15(2)11-23(26(34)30-19-7-4-17(5-8-19)27(35)36)31-14-22-21(13-24(31)32)20-12-18(28)6-3-16(20)9-10-29-25(22)33/h3-8,12-15,23H,9-11H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 36n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303813
PNG
(2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,8-te...)
Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H27ClFN5O4/c1-34-14-17-10-19(5-6-24(17)33-34)31-28(38)25(7-8-39-2)35-15-23-22(12-26(35)36)21-11-18(29)4-3-16(21)9-20(13-30)32-27(23)37/h3-6,10-12,14-15,20,25H,7-9,13H2,1-2H3,(H,31,38)(H,32,37)
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n/an/a 42n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303811
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES Clc1ccc2CC3(CC3)NC(=O)c3cn(C(Cc4ccccc4)C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)c(=O)cc3-c2c1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;$|
Show InChI InChI=1S/C32H26ClN5O4/c33-20-7-6-19-16-32(10-11-32)37-29(40)24-17-38(28(39)15-23(24)22(19)13-20)27(12-18-4-2-1-3-5-18)30(41)34-21-8-9-25-26(14-21)36-31(42)35-25/h1-9,13-15,17,27H,10-12,16H2,(H,34,41)(H,37,40)(H2,35,36,42)
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n/an/a 42n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303799
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2nccn2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O4/c1-38-11-6-23(27(37)31-19-4-5-24-30-9-10-33(24)15-19)34-16-22-21(13-25(34)35)20-12-18(29)3-2-17(20)14-28(7-8-28)32-26(22)36/h2-5,9-10,12-13,15-16,23H,6-8,11,14H2,1H3,(H,31,37)(H,32,36)
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n/an/a 44n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303789
PNG
(2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H22ClN5O5/c1-2-21(25(35)29-17-7-4-15(5-8-17)23-30-26(36)37-31-23)32-13-20-19(12-22(32)33)18-11-16(27)6-3-14(18)9-10-28-24(20)34/h3-8,11-13,21H,2,9-10H2,1H3,(H,28,34)(H,29,35)(H,30,31,36)
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n/an/a 44n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303812
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES Cn1cc2cc(NC(=O)C(Cc3ccccc3)n3cc4c(cc3=O)-c3cc(Cl)ccc3CC3(CC3)NC4=O)ccc2n1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;$|
Show InChI InChI=1S/C33H28ClN5O3/c1-38-18-22-14-24(9-10-28(22)37-38)35-32(42)29(13-20-5-3-2-4-6-20)39-19-27-26(16-30(39)40)25-15-23(34)8-7-21(25)17-33(11-12-33)36-31(27)41/h2-10,14-16,18-19,29H,11-13,17H2,1H3,(H,35,42)(H,36,41)
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n/an/a 45n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303802
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(nc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H25ClN4O6/c1-38-9-6-22(25(35)30-17-4-5-21(26(36)37)29-13-17)32-14-20-19(11-23(32)33)18-10-16(28)3-2-15(18)12-27(7-8-27)31-24(20)34/h2-5,10-11,13-14,22H,6-9,12H2,1H3,(H,30,35)(H,31,34)(H,36,37)
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n/an/a 47n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303810
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES OC(=O)c1ccc(NC(=O)C(Cc2ccccc2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
Show InChI InChI=1S/C32H26ClN3O5/c33-22-9-6-21-17-32(12-13-32)35-29(38)26-18-36(28(37)16-25(26)24(21)15-22)27(14-19-4-2-1-3-5-19)30(39)34-23-10-7-20(8-11-23)31(40)41/h1-11,15-16,18,27H,12-14,17H2,(H,34,39)(H,35,38)(H,40,41)
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n/an/a 55n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303815
PNG
(4-({2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,...)
Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H25ClFN3O6/c1-38-9-8-23(26(35)30-18-6-3-15(4-7-18)27(36)37)32-14-22-21(12-24(32)33)20-11-17(28)5-2-16(20)10-19(13-29)31-25(22)34/h2-7,11-12,14,19,23H,8-10,13H2,1H3,(H,30,35)(H,31,34)(H,36,37)
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n/an/a 97n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303805
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1cc(cs1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H24ClN3O6S/c1-36-7-4-20(24(33)28-21-8-15(13-37-21)25(34)35)30-12-19-18(10-22(30)31)17-9-16(27)3-2-14(17)11-26(5-6-26)29-23(19)32/h2-3,8-10,12-13,20H,4-7,11H2,1H3,(H,28,33)(H,29,32)(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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303814
PNG
(4-({2-[11-Chloro-7-(fluoromethyl)-2,5-dioxo-5,6,7,...)
Show SMILES COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC(CF)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H25ClF2N4O5/c1-39-7-6-23(27(38)32-16-4-5-18(25(31)36)22(30)10-16)34-13-21-20(11-24(34)35)19-9-15(28)3-2-14(19)8-17(12-29)33-26(21)37/h2-5,9-11,13,17,23H,6-8,12H2,1H3,(H2,31,36)(H,32,38)(H,33,37)
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n/an/a 100n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303791
PNG
(2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,...)
Show SMILES CC(C)CC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O5/c1-15(2)11-23(27(37)31-19-7-4-17(5-8-19)25-32-28(38)39-33-25)34-14-22-21(13-24(34)35)20-12-18(29)6-3-16(20)9-10-30-26(22)36/h3-8,12-15,23H,9-11H2,1-2H3,(H,30,36)(H,31,37)(H,32,33,38)
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n/an/a 140n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303785
PNG
(4-{[2-(10′-Chloro-2′,5′-dioxo-5&...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1C1(CC1)NC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H22ClN3O5/c1-2-21(24(33)28-16-6-3-14(4-7-16)25(34)35)30-13-19-17(12-22(30)31)18-11-15(27)5-8-20(18)26(9-10-26)29-23(19)32/h3-8,11-13,21H,2,9-10H2,1H3,(H,28,33)(H,29,32)(H,34,35)
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n/an/a 180n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303798
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccn2nccc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O4/c1-38-11-6-24(27(37)31-19-5-10-34-20(13-19)4-9-30-34)33-16-23-22(14-25(33)35)21-12-18(29)3-2-17(21)15-28(7-8-28)32-26(23)36/h2-5,9-10,12-14,16,24H,6-8,11,15H2,1H3,(H,31,37)(H,32,36)
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n/an/a 210n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303801
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2c(c1)[nH]n(C)c2=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C29H28ClN5O5/c1-34-28(39)19-6-5-18(12-23(19)33-34)31-27(38)24(7-10-40-2)35-15-22-21(13-25(35)36)20-11-17(30)4-3-16(20)14-29(8-9-29)32-26(22)37/h3-6,11-13,15,24,33H,7-10,14H2,1-2H3,(H,31,38)(H,32,37)
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n/an/a 230n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303796
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O5/c1-39-9-6-23(26(37)30-17-4-5-21-22(11-17)32-27(38)31-21)34-14-20-19(12-24(34)35)18-10-16(29)3-2-15(18)13-28(7-8-28)33-25(20)36/h2-5,10-12,14,23H,6-9,13H2,1H3,(H,30,37)(H,33,36)(H2,31,32,38)
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n/an/a 230n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303797
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C29H28ClN5O4/c1-34-15-18-11-20(5-6-24(18)33-34)31-28(38)25(7-10-39-2)35-16-23-22(13-26(35)36)21-12-19(30)4-3-17(21)14-29(8-9-29)32-27(23)37/h3-6,11-13,15-16,25H,7-10,14H2,1-2H3,(H,31,38)(H,32,37)
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n/an/a 240n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303809
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.03,5.01,;4.69,5.78,;3.36,5,;3.36,3.46,;2.03,2.7,;.69,3.46,;-.64,2.69,;-.64,1.15,;.69,.38,;.69,-1.16,;2.03,1.15,;3.36,.38,;3.36,-1.16,;4.69,-1.93,;6.03,-1.16,;7.49,-1.63,;8.4,-.39,;9.94,-.39,;7.49,.86,;6.03,.38,;4.69,1.15,;-1.97,.38,;-3.31,1.15,;-4.64,.38,;-4.64,-1.16,;-3.31,-1.93,;-1.97,-1.16,;-.64,-1.93,;-5.98,-1.93,;-5.98,-3.47,;-7.31,-4.24,;-7.31,-5.78,;-8.64,-3.47,;-8.64,-1.93,;-7.31,-1.16,;-8.4,-.07,;-8.4,1.47,;-9.94,1.47,;-9.17,2.81,;-7.06,2.24,;-5.04,1.87,;-4.27,3.21,;.69,5,;2.03,5.77,)|
Show InChI InChI=1S/C33H34ClN5O5/c1-44-22-7-2-18(3-8-22)12-28(31(42)35-21-6-9-26-27(14-21)37-32(43)36-26)39-17-25-24(15-29(39)40)23-13-20(34)5-4-19(23)16-33(10-11-33)38-30(25)41/h4-6,9,13-15,17-18,22,28H,2-3,7-8,10-12,16H2,1H3,(H,35,42)(H,38,41)(H2,36,37,43)/t18-,22-,28?
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n/an/a 250n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303784
PNG
(2-(10-Chloro-2,5-dioxo-2,5,6,7-tetrahydro-3H-pyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CNC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H20ClN5O5/c1-2-20(24(34)28-16-7-4-13(5-8-16)22-29-25(35)36-30-22)31-12-19-18(10-21(31)32)17-9-15(26)6-3-14(17)11-27-23(19)33/h3-10,12,20H,2,11H2,1H3,(H,27,33)(H,28,34)(H,29,30,35)
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n/an/a 280n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303800
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2[nH]ncc2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
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n/an/a 330n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303804
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(s1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H24ClN3O6S/c1-36-9-6-19(24(33)28-21-5-4-20(37-21)25(34)35)30-13-18-17(11-22(30)31)16-10-15(27)3-2-14(16)12-26(7-8-26)29-23(18)32/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,28,33)(H,29,32)(H,34,35)
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n/an/a 340n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303787
PNG
(2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,...)
Show SMILES Clc1ccc2CCNC(=O)c3cn(CC(=O)Nc4ccc(cc4)-c4noc(=O)[nH]4)c(=O)cc3-c2c1 |$;;;;;;;HN;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;$|
Show InChI InChI=1S/C24H18ClN5O5/c25-15-4-1-13-7-8-26-23(33)19-11-30(21(32)10-18(19)17(13)9-15)12-20(31)27-16-5-2-14(3-6-16)22-28-24(34)35-29-22/h1-6,9-11H,7-8,12H2,(H,26,33)(H,27,31)(H,28,29,34)
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n/an/a 350n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303807
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.38,5.01,;5.05,5.78,;3.71,5,;3.71,3.46,;2.38,2.7,;1.05,3.46,;-.29,2.69,;-.29,1.15,;1.05,.38,;1.05,-1.16,;2.38,1.15,;3.71,.38,;5.05,1.15,;6.38,.38,;6.38,-1.16,;5.05,-1.93,;3.71,-1.16,;7.71,-1.92,;9.05,-1.15,;7.71,-3.46,;-1.62,.38,;-2.95,1.15,;-4.29,.38,;-4.29,-1.16,;-2.95,-1.93,;-1.62,-1.16,;-.29,-1.93,;-5.62,-1.93,;-5.62,-3.47,;-6.96,-4.24,;-6.96,-5.78,;-8.29,-3.47,;-8.29,-1.93,;-6.96,-1.16,;-7.91,.01,;-7.51,1.5,;-9.05,1.5,;-8.28,2.83,;-6.17,2.27,;-4.69,1.87,;-3.6,2.96,;1.05,5,;2.38,5.77,)|
Show InChI InChI=1S/C33H34ClN3O6/c1-43-24-10-2-19(3-11-24)14-28(31(40)35-23-8-5-20(6-9-23)32(41)42)37-18-27-26(16-29(37)38)25-15-22(34)7-4-21(25)17-33(12-13-33)36-30(27)39/h4-9,15-16,18-19,24,28H,2-3,10-14,17H2,1H3,(H,35,40)(H,36,39)(H,41,42)/t19-,24-,28?
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n/an/a 370n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303794
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN3O6/c1-38-11-8-23(26(35)30-19-6-3-16(4-7-19)27(36)37)32-15-22-21(13-24(32)33)20-12-18(29)5-2-17(20)14-28(9-10-28)31-25(22)34/h2-7,12-13,15,23H,8-11,14H2,1H3,(H,30,35)(H,31,34)(H,36,37)
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n/an/a 390n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303783
PNG
(4-{[2-(10-Chloro-2,5-dioxo-2,5,6,7-tetrahydro-3H-p...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CNC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C24H20ClN3O5/c1-2-20(23(31)27-16-7-4-13(5-8-16)24(32)33)28-12-19-18(10-21(28)29)17-9-15(25)6-3-14(17)11-26-22(19)30/h3-10,12,20H,2,11H2,1H3,(H,26,30)(H,27,31)(H,32,33)
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n/an/a 420n/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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303790
PNG
(4-{[2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrid...)
Show SMILES CC(C)CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H26ClN3O5/c1-15(2)11-23(26(34)30-19-7-4-17(5-8-19)27(35)36)31-14-22-21(13-24(31)32)20-12-18(28)6-3-16(20)9-10-29-25(22)33/h3-8,12-15,23H,9-11H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 680n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM303786
PNG
(4-{[(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[...)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2cc3c(cc2=O)-c2cc(Cl)ccc2CCNC3=O)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN;;;;$|
Show InChI InChI=1S/C23H18ClN3O5/c24-15-4-1-13-7-8-25-22(30)19-11-27(21(29)10-18(19)17(13)9-15)12-20(28)26-16-5-2-14(3-6-16)23(31)32/h1-6,9-11H,7-8,12H2,(H,25,30)(H,26,28)(H,31,32)
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n/an/a 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 US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303808
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(C(N)=O)c(F)c2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.38,5.01,;5.05,5.78,;3.71,5,;3.71,3.46,;2.38,2.7,;1.05,3.46,;-.29,2.69,;-.29,1.15,;1.05,.38,;1.05,-1.16,;2.38,1.15,;3.71,.38,;3.71,-1.16,;5.05,-1.93,;6.38,-1.16,;7.71,-1.92,;9.05,-1.15,;7.71,-3.46,;6.38,.38,;7.71,1.15,;5.05,1.15,;-1.62,.38,;-2.95,1.15,;-4.29,.38,;-4.29,-1.16,;-2.95,-1.93,;-1.62,-1.16,;-.29,-1.93,;-5.62,-1.93,;-5.62,-3.47,;-6.96,-4.24,;-6.96,-5.78,;-8.29,-3.47,;-8.29,-1.93,;-6.96,-1.16,;-7.91,.01,;-7.51,1.5,;-9.05,1.5,;-8.28,2.83,;-6.17,2.27,;-4.69,1.87,;-3.6,2.96,;1.05,5,;2.38,5.77,)|
Show InChI InChI=1S/C33H34ClFN4O5/c1-44-22-7-2-18(3-8-22)12-28(32(43)37-21-6-9-23(30(36)41)27(35)14-21)39-17-26-25(15-29(39)40)24-13-20(34)5-4-19(24)16-33(10-11-33)38-31(26)42/h4-6,9,13-15,17-18,22,28H,2-3,7-8,10-12,16H2,1H3,(H2,36,41)(H,37,43)(H,38,42)/t18-,22-,28?
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n/an/a 740n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303795
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClFN4O5/c1-39-9-6-23(27(38)32-17-4-5-18(25(31)36)22(30)11-17)34-14-21-20(12-24(34)35)19-10-16(29)3-2-15(19)13-28(7-8-28)33-26(21)37/h2-5,10-12,14,23H,6-9,13H2,1H3,(H2,31,36)(H,32,38)(H,33,37)
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n/an/a 780n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303806
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1csc(c1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H24ClN3O6S/c1-36-7-4-20(24(33)28-16-9-21(25(34)35)37-13-16)30-12-19-18(10-22(30)31)17-8-15(27)3-2-14(17)11-26(5-6-26)29-23(19)32/h2-3,8-10,12-13,20H,4-7,11H2,1H3,(H,28,33)(H,29,32)(H,34,35)
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n/an/a 800n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303803
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(nc1)C(N)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H26ClN5O5/c1-38-9-6-22(26(37)31-17-4-5-21(24(29)35)30-13-17)33-14-20-19(11-23(33)34)18-10-16(28)3-2-15(18)12-27(7-8-27)32-25(20)36/h2-5,10-11,13-14,22H,6-9,12H2,1H3,(H2,29,35)(H,31,37)(H,32,36)
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n/an/a 910n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303799
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES COCCC(C(=O)Nc1ccc2nccn2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O4/c1-38-11-6-23(27(37)31-19-4-5-24-30-9-10-33(24)15-19)34-16-22-21(13-25(34)35)20-12-18(29)3-2-17(20)14-28(7-8-28)32-26(22)36/h2-5,9-10,12-13,15-16,23H,6-8,11,14H2,1H3,(H,31,37)(H,32,36)
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n/an/a 1.20E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303793
PNG
(2-(11′-Chloro-2′,5′-dioxo-2̸...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H24ClN5O5/c1-2-22(26(37)30-18-7-4-15(5-8-18)24-31-27(38)39-33-24)34-14-21-20(12-23(34)35)19-11-17(29)6-3-16(19)13-28(9-10-28)32-25(21)36/h3-8,11-12,14,22H,2,9-10,13H2,1H3,(H,30,37)(H,32,36)(H,31,33,38)
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n/an/a 1.70E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303788
PNG
(4-{[2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H22ClN3O5/c1-2-21(24(32)28-17-7-4-15(5-8-17)25(33)34)29-13-20-19(12-22(29)30)18-11-16(26)6-3-14(18)9-10-27-23(20)31/h3-8,11-13,21H,2,9-10H2,1H3,(H,27,31)(H,28,32)(H,33,34)
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n/an/a 1.90E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303792
PNG
(4-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H24ClN3O5/c1-2-22(25(34)29-18-7-4-15(5-8-18)26(35)36)31-14-21-20(12-23(31)32)19-11-17(28)6-3-16(19)13-27(9-10-27)30-24(21)33/h3-8,11-12,14,22H,2,9-10,13H2,1H3,(H,29,34)(H,30,33)(H,35,36)
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n/an/a 2.10E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303789
PNG
(2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H22ClN5O5/c1-2-21(25(35)29-17-7-4-15(5-8-17)23-30-26(36)37-31-23)32-13-20-19(12-22(32)33)18-11-16(27)6-3-14(18)9-10-28-24(20)34/h3-8,11-13,21H,2,9-10H2,1H3,(H,28,34)(H,29,35)(H,30,31,36)
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n/an/a 3.30E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303791
PNG
(2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,...)
Show SMILES CC(C)CC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CCNC2=O |$;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C28H26ClN5O5/c1-15(2)11-23(27(37)31-19-7-4-17(5-8-19)25-32-28(38)39-33-25)34-14-22-21(13-24(34)35)20-12-18(29)6-3-16(20)9-10-30-26(22)36/h3-8,12-15,23H,9-11H2,1-2H3,(H,30,36)(H,31,37)(H,32,33,38)
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n/an/a 3.80E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303805
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1cc(cs1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H24ClN3O6S/c1-36-7-4-20(24(33)28-21-8-15(13-37-21)25(34)35)30-12-19-18(10-22(30)31)17-9-16(27)3-2-14(17)11-26(5-6-26)29-23(19)32/h2-3,8-10,12-13,20H,4-7,11H2,1H3,(H,28,33)(H,29,32)(H,34,35)
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n/an/a 3.90E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303802
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(nc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C27H25ClN4O6/c1-38-9-6-22(25(35)30-17-4-5-21(26(36)37)29-13-17)32-14-20-19(11-23(32)33)18-10-16(28)3-2-15(18)12-27(7-8-27)31-24(20)34/h2-5,10-11,13-14,22H,6-9,12H2,1H3,(H,30,35)(H,31,34)(H,36,37)
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n/an/a 4.50E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303784
PNG
(2-(10-Chloro-2,5-dioxo-2,5,6,7-tetrahydro-3H-pyrid...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)-c1noc(=O)[nH]1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CNC2=O |$;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C25H20ClN5O5/c1-2-20(24(34)28-16-7-4-13(5-8-16)22-29-25(35)36-30-22)31-12-19-18(10-21(31)32)17-9-15(26)6-3-14(17)11-27-23(19)33/h3-10,12,20H,2,11H2,1H3,(H,27,33)(H,28,34)(H,29,30,35)
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n/an/a 4.90E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303787
PNG
(2-(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[3,...)
Show SMILES Clc1ccc2CCNC(=O)c3cn(CC(=O)Nc4ccc(cc4)-c4noc(=O)[nH]4)c(=O)cc3-c2c1 |$;;;;;;;HN;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;$|
Show InChI InChI=1S/C24H18ClN5O5/c25-15-4-1-13-7-8-26-23(33)19-11-30(21(32)10-18(19)17(13)9-15)12-20(31)27-16-5-2-14(3-6-16)22-28-24(34)35-29-22/h1-6,9-11H,7-8,12H2,(H,26,33)(H,27,31)(H,28,29,34)
PDB

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n/an/a 8.30E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303783
PNG
(4-{[2-(10-Chloro-2,5-dioxo-2,5,6,7-tetrahydro-3H-p...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CNC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C24H20ClN3O5/c1-2-20(23(31)27-16-7-4-13(5-8-16)24(32)33)28-12-19-18(10-21(28)29)17-9-15(25)6-3-14(17)11-26-22(19)30/h3-10,12,20H,2,11H2,1H3,(H,26,30)(H,27,31)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303786
PNG
(4-{[(11-Chloro-2,5-dioxo-5,6,7,8-tetrahydropyrido[...)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2cc3c(cc2=O)-c2cc(Cl)ccc2CCNC3=O)cc1 |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN;;;;$|
Show InChI InChI=1S/C23H18ClN3O5/c24-15-4-1-13-7-8-25-22(30)19-11-27(21(29)10-18(19)17(13)9-15)12-20(28)26-16-5-2-14(3-6-16)23(31)32/h1-6,9-11H,7-8,12H2,(H,25,30)(H,26,28)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM303785
PNG
(4-{[2-(10′-Chloro-2′,5′-dioxo-5&...)
Show SMILES CCC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1C1(CC1)NC2=O |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H22ClN3O5/c1-2-21(24(33)28-16-6-3-14(4-7-16)25(34)35)30-13-19-17(12-22(30)31)18-11-15(27)5-8-20(18)26(9-10-26)29-23(19)32/h3-8,11-13,21H,2,9-10H2,1H3,(H,28,33)(H,29,32)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


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

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%